N-(cyclohexylmethyl)pent-4-yn-2-amine

C12H21N — CID 115757028

IUPACN-(cyclohexylmethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCC1CCCCC1
InChIInChI=1S/C12H21N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h1,11-13H,4-10H2,2H3
InChIKeyOQGJIVSFLNRUGN-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds4

About N-(cyclohexylmethyl)pent-4-yn-2-amine

N-(cyclohexylmethyl)pent-4-yn-2-amine (PubChem CID 115757028) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pent-4-yn-2-amine
PubChem CID115757028
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(cyclohexylmethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCC1CCCCC1
InChIInChI=1S/C12H21N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h1,11-13H,4-10H2,2H3
InChIKeyOQGJIVSFLNRUGN-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
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

N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
N-(cycloheptylmethyl)pent-1-yn-3-amine
CID 106224416
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
1-cyclohexyl-N-ethylpent-4-yn-2-amine
CID 114977293
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pent-4-yn-2-amine?
The IUPAC name of N-(cyclohexylmethyl)pent-4-yn-2-amine (CID 115757028) is N-(cyclohexylmethyl)pent-4-yn-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)pent-4-yn-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)pent-4-yn-2-amine is C#CCC(C)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)pent-4-yn-2-amine?
The InChIKey is OQGJIVSFLNRUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h1,11-13H,4-10H2,2H3.
What are the key properties of N-(cyclohexylmethyl)pent-4-yn-2-amine?
N-(cyclohexylmethyl)pent-4-yn-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pent-4-yn-2-amine is sourced from PubChem (CID 115757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).