(1-but-3-enylcyclohexyl)methanamine

C11H21N — CID 11607981

IUPAC(1-but-3-enylcyclohexyl)methanamine
SMILESC=CCCC1(CN)CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2H,1,3-10,12H2
InChIKeyVRZGHHATSBFCKF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds4

About (1-but-3-enylcyclohexyl)methanamine

(1-but-3-enylcyclohexyl)methanamine (PubChem CID 11607981) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1-but-3-enylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-but-3-enylcyclohexyl)methanamine
PubChem CID11607981
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1-but-3-enylcyclohexyl)methanamine
SMILESC=CCCC1(CN)CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2H,1,3-10,12H2
InChIKeyVRZGHHATSBFCKF-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
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-(But-3-en-1-yl)cyclopentyl]methanamine
CID 122163974
Cyclohexanemethanamine, 1-(2-propenyl)-
CID 10920716
1-Allylcyclopentanemethaneamine
CID 11513759
Diallyloctylamine
CID 87161058
2-Ethyl-2-methylhex-5-en-1-amine
CID 126977371
2-[1-(2-Fluoroethyl)-3-methylidenecyclohexyl]ethanamine
CID 126536231
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-amine
CID 11506523
[1-[(E)-but-2-enyl]cyclohexyl]methanamine
CID 12910292
(1-Pent-4-enylcyclopentyl)methanamine
CID 42611663
d2-(1-Allylcyclohexyl)methylamine
CID 52920940
(1R,2R)-1-cyclohexyl-2-methylbut-3-en-1-amine
CID 96009176
2,2-Dimethyl-11-dodecenylamine
CID 101138270

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enylcyclohexyl)methanamine?
The IUPAC name of (1-but-3-enylcyclohexyl)methanamine (CID 11607981) is (1-but-3-enylcyclohexyl)methanamine.
What is the SMILES notation for (1-but-3-enylcyclohexyl)methanamine?
The canonical SMILES for (1-but-3-enylcyclohexyl)methanamine is C=CCCC1(CN)CCCCC1.
What is the InChIKey of (1-but-3-enylcyclohexyl)methanamine?
The InChIKey is VRZGHHATSBFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2H,1,3-10,12H2.
What are the key properties of (1-but-3-enylcyclohexyl)methanamine?
(1-but-3-enylcyclohexyl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enylcyclohexyl)methanamine is sourced from PubChem (CID 11607981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).