4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine

C12H23N — CID 62702643

IUPAC4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyHDUKFAVZBUIYEY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds4

About 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine

4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 62702643) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine
PubChem CID62702643
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyHDUKFAVZBUIYEY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
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

methanamine;N-prop-2-enylcyclohexanamine
CID 22649764
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
azane;N-prop-2-enylcyclohexanamine
CID 22328045
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
N'-ethyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62704092
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222832

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine (CID 62702643) is 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is HDUKFAVZBUIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine?
4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 62702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).