(4-methyl-1-prop-2-ynylcyclohexyl)methanamine

C11H19N — CID 126977400

IUPAC(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
SMILESC#CCC1(CN)CCC(C)CC1
InChIInChI=1S/C11H19N/c1-3-6-11(9-12)7-4-10(2)5-8-11/h1,10H,4-9,12H2,2H3
InChIKeyFDXWVHATECWEOW-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.16
Rot. Bonds2

About (4-methyl-1-prop-2-ynylcyclohexyl)methanamine

(4-methyl-1-prop-2-ynylcyclohexyl)methanamine (PubChem CID 126977400) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4-methyl-1-prop-2-ynylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
PubChem CID126977400
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
SMILESC#CCC1(CN)CCC(C)CC1
InChIInChI=1S/C11H19N/c1-3-6-11(9-12)7-4-10(2)5-8-11/h1,10H,4-9,12H2,2H3
InChIKeyFDXWVHATECWEOW-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine
CID 114277559
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
CID 65392807
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
CID 115442724
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 64755610
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylcyclopentan-1-amine
CID 114547350
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-prop-2-ynylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-1-prop-2-ynylcyclohexyl)methanamine (CID 126977400) is (4-methyl-1-prop-2-ynylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-1-prop-2-ynylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-1-prop-2-ynylcyclohexyl)methanamine is C#CCC1(CN)CCC(C)CC1.
What is the InChIKey of (4-methyl-1-prop-2-ynylcyclohexyl)methanamine?
The InChIKey is FDXWVHATECWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-6-11(9-12)7-4-10(2)5-8-11/h1,10H,4-9,12H2,2H3.
What are the key properties of (4-methyl-1-prop-2-ynylcyclohexyl)methanamine?
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-prop-2-ynylcyclohexyl)methanamine is sourced from PubChem (CID 126977400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).