4-[(E)-prop-1-enyl]cyclohexan-1-amine

C9H17N — CID 54523071

IUPAC4-[(E)-prop-1-enyl]cyclohexan-1-amine
SMILESC/C=C/C1CCC(N)CC1
InChIInChI=1S/C9H17N/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-9H,4-7,10H2,1H3/b3-2+
InChIKeySTVDWZFPEGLVFM-NSCUHMNNSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds1

About 4-[(E)-prop-1-enyl]cyclohexan-1-amine

4-[(E)-prop-1-enyl]cyclohexan-1-amine (PubChem CID 54523071) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]cyclohexan-1-amine
PubChem CID54523071
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-[(E)-prop-1-enyl]cyclohexan-1-amine
SMILESC/C=C/C1CCC(N)CC1
InChIInChI=1S/C9H17N/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-9H,4-7,10H2,1H3/b3-2+
InChIKeySTVDWZFPEGLVFM-NSCUHMNNSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
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

1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
prop-1-enylcyclododecane
CID 139760926
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
4-prop-1-enyloxane
CID 67943366
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
4-(methyliminomethyl)cyclohexan-1-amine
CID 146733456
1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19899833
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-prop-1-enyl]cyclohexan-1-amine (CID 54523071) is 4-[(E)-prop-1-enyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-prop-1-enyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-prop-1-enyl]cyclohexan-1-amine is C/C=C/C1CCC(N)CC1.
What is the InChIKey of 4-[(E)-prop-1-enyl]cyclohexan-1-amine?
The InChIKey is STVDWZFPEGLVFM-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-9H,4-7,10H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]cyclohexan-1-amine?
4-[(E)-prop-1-enyl]cyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]cyclohexan-1-amine is sourced from PubChem (CID 54523071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).