4-but-3-enylcyclohexan-1-amine

C10H19N — CID 142229592

IUPAC4-but-3-enylcyclohexan-1-amine
SMILESC=CCCC1CCC(N)CC1
InChIInChI=1S/C10H19N/c1-2-3-4-9-5-7-10(11)8-6-9/h2,9-10H,1,3-8,11H2
InChIKeyCRTVVGOOFLUMAS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds3

About 4-but-3-enylcyclohexan-1-amine

4-but-3-enylcyclohexan-1-amine (PubChem CID 142229592) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-but-3-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-but-3-enylcyclohexan-1-amine
PubChem CID142229592
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-but-3-enylcyclohexan-1-amine
SMILESC=CCCC1CCC(N)CC1
InChIInChI=1S/C10H19N/c1-2-3-4-9-5-7-10(11)8-6-9/h2,9-10H,1,3-8,11H2
InChIKeyCRTVVGOOFLUMAS-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
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

but-3-enylcyclododecane
CID 54074675
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
4-but-3-enylcyclohexan-1-one
CID 130029411
1-but-3-enyl-3-chlorocyclopentane
CID 64515663
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
but-3-enylcyclohexane;carbonic acid
CID 70349609

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enylcyclohexan-1-amine?
The IUPAC name of 4-but-3-enylcyclohexan-1-amine (CID 142229592) is 4-but-3-enylcyclohexan-1-amine.
What is the SMILES notation for 4-but-3-enylcyclohexan-1-amine?
The canonical SMILES for 4-but-3-enylcyclohexan-1-amine is C=CCCC1CCC(N)CC1.
What is the InChIKey of 4-but-3-enylcyclohexan-1-amine?
The InChIKey is CRTVVGOOFLUMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-4-9-5-7-10(11)8-6-9/h2,9-10H,1,3-8,11H2.
What are the key properties of 4-but-3-enylcyclohexan-1-amine?
4-but-3-enylcyclohexan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylcyclohexan-1-amine is sourced from PubChem (CID 142229592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).