N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine

C52H96N4O2 — CID 164989491

IUPACN-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine
SMILESCC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1.CC(=O)N[C@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/2C14H27N.2C12H21NO/c2*1-11(2)10-15-13-8-6-12(7-9-13)14(3,4)5;2*1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h2*6,11,13,15H,7-10H2,1-5H3;2*5,11H,6-8H2,1-4H3,(H,13,14)/t2*13-;2*11-/m1010/s1
InChIKeyGQPJRCWMVOBUHN-KPIVFQMASA-N
MW809.37 g/mol
LogP12.81
Rot. Bonds8

About N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine

N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine (PubChem CID 164989491) has the molecular formula C52H96N4O2 and a molecular weight of 809.37 g/mol. Its IUPAC name is N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine
PubChem CID164989491
Molecular FormulaC52H96N4O2
Molecular Weight809.37 g/mol
Exact Mass808.75
IUPAC NameN-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine
SMILESCC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1.CC(=O)N[C@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/2C14H27N.2C12H21NO/c2*1-11(2)10-15-13-8-6-12(7-9-13)14(3,4)5;2*1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h2*6,11,13,15H,7-10H2,1-5H3;2*5,11H,6-8H2,1-4H3,(H,13,14)/t2*13-;2*11-/m1010/s1
InChIKeyGQPJRCWMVOBUHN-KPIVFQMASA-N
XLogP12.81
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.37
LogP ≤ 512.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine?
The IUPAC name of N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine (CID 164989491) is N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine is CC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1.CC(=O)N[C@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@@H]1CC=C(C(C)(C)C)CC1.CC(C)CN[C@H]1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine?
The InChIKey is GQPJRCWMVOBUHN-KPIVFQMASA-N. The full InChI is InChI=1S/2C14H27N.2C12H21NO/c2*1-11(2)10-15-13-8-6-12(7-9-13)14(3,4)5;2*1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h2*6,11,13,15H,7-10H2,1-5H3;2*5,11H,6-8H2,1-4H3,(H,13,14)/t2*13-;2*11-/m1010/s1.
What are the key properties of N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine?
N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine has a molecular weight of 809.37 g/mol, XLogP of 12.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 164989491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).