(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine

C13H25N — CID 165018012

IUPAC(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine
SMILESCCCN[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h6,12,14H,5,7-10H2,1-4H3/t12-/m1/s1
InChIKeyQXPKGDPCCBUPEN-GFCCVEGCSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds3

About (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine

(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine (PubChem CID 165018012) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine
PubChem CID165018012
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine
SMILESCCCN[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h6,12,14H,5,7-10H2,1-4H3/t12-/m1/s1
InChIKeyQXPKGDPCCBUPEN-GFCCVEGCSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
CID 89370535
4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
CID 164997693
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-(ethylamino)cyclohexen-1-ol
CID 89171409
(1R)-1-N-propylcyclohex-3-ene-1,3-diamine
CID 141400748
4-(propylamino)-2-sulfanylcyclohexan-1-one
CID 59779369
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
[(1S)-4-tert-butylcyclohex-3-en-1-yl] formate
CID 135271345
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
CID 167068206

Frequently Asked Questions

What is the IUPAC name of (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine?
The IUPAC name of (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine (CID 165018012) is (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine.
What is the SMILES notation for (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine?
The canonical SMILES for (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine is CCCN[C@@H]1CC=C(C(C)(C)C)CC1.
What is the InChIKey of (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine?
The InChIKey is QXPKGDPCCBUPEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h6,12,14H,5,7-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine?
(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 165018012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).