(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine

C23H35N — CID 155111382

IUPAC(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine
SMILESC/C=C1\C(CC)(NC)CC=C(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C23H35N/c1-9-20-22(6,7)19(15-16-23(20,10-2)24-8)17-11-13-18(14-12-17)21(3,4)5/h9,11-15,24H,10,16H2,1-8H3/b20-9-
InChIKeyDUOMRZVFKJKHQR-UKWGHVSLSA-N
MW325.54 g/mol
LogP6.11
Rot. Bonds3

About (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine

(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine (PubChem CID 155111382) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine
PubChem CID155111382
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine
SMILESC/C=C1\C(CC)(NC)CC=C(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C23H35N/c1-9-20-22(6,7)19(15-16-23(20,10-2)24-8)17-11-13-18(14-12-17)21(3,4)5/h9,11-15,24H,10,16H2,1-8H3/b20-9-
InChIKeyDUOMRZVFKJKHQR-UKWGHVSLSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine?
The IUPAC name of (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine (CID 155111382) is (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine.
What is the SMILES notation for (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine?
The canonical SMILES for (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine is C/C=C1\C(CC)(NC)CC=C(c2ccc(C(C)(C)C)cc2)C1(C)C.
What is the InChIKey of (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine?
The InChIKey is DUOMRZVFKJKHQR-UKWGHVSLSA-N. The full InChI is InChI=1S/C23H35N/c1-9-20-22(6,7)19(15-16-23(20,10-2)24-8)17-11-13-18(14-12-17)21(3,4)5/h9,11-15,24H,10,16H2,1-8H3/b20-9-.
What are the key properties of (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine?
(6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine has a molecular weight of 325.54 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-(4-tert-butylphenyl)-1-ethyl-6-ethylidene-N,5,5-trimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 155111382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).