1-(1-methylcyclohexyl)but-3-yn-1-amine

C11H19N — CID 106829766

IUPAC1-(1-methylcyclohexyl)but-3-yn-1-amine
SMILESC#CCC(N)C1(C)CCCCC1
InChIInChI=1S/C11H19N/c1-3-7-10(12)11(2)8-5-4-6-9-11/h1,10H,4-9,12H2,2H3
InChIKeyKPFATLKTWCYDTN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.31
Rot. Bonds2

About 1-(1-methylcyclohexyl)but-3-yn-1-amine

1-(1-methylcyclohexyl)but-3-yn-1-amine (PubChem CID 106829766) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)but-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)but-3-yn-1-amine
PubChem CID106829766
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(1-methylcyclohexyl)but-3-yn-1-amine
SMILESC#CCC(N)C1(C)CCCCC1
InChIInChI=1S/C11H19N/c1-3-7-10(12)11(2)8-5-4-6-9-11/h1,10H,4-9,12H2,2H3
InChIKeyKPFATLKTWCYDTN-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
1-(1-ethylcyclopropyl)but-3-yn-1-amine
CID 130554148
2-(1-methylcyclobutyl)-1-(1-methylcyclopentyl)ethanamine
CID 130602100
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
CID 104992617
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
1-(1-aminobut-3-ynyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074584
1-(1-methylcyclopropyl)ethane-1,2-diamine
CID 147768838
N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 134220096
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
1-(1-methoxycyclohexyl)prop-2-yn-1-amine
CID 116762592

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)but-3-yn-1-amine?
The IUPAC name of 1-(1-methylcyclohexyl)but-3-yn-1-amine (CID 106829766) is 1-(1-methylcyclohexyl)but-3-yn-1-amine.
What is the SMILES notation for 1-(1-methylcyclohexyl)but-3-yn-1-amine?
The canonical SMILES for 1-(1-methylcyclohexyl)but-3-yn-1-amine is C#CCC(N)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)but-3-yn-1-amine?
The InChIKey is KPFATLKTWCYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-7-10(12)11(2)8-5-4-6-9-11/h1,10H,4-9,12H2,2H3.
What are the key properties of 1-(1-methylcyclohexyl)but-3-yn-1-amine?
1-(1-methylcyclohexyl)but-3-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)but-3-yn-1-amine is sourced from PubChem (CID 106829766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).