N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine

C12H21N — CID 104807377

IUPACN-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
SMILESCC#CCCN[C@@H](C)C1CCCC1
InChIInChI=1S/C12H21N/c1-3-4-7-10-13-11(2)12-8-5-6-9-12/h11-13H,5-10H2,1-2H3/t11-/m0/s1
InChIKeyCVSIXFICGOUXPS-NSHDSACASA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds4

About N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine

N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine (PubChem CID 104807377) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
PubChem CID104807377
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
SMILESCC#CCCN[C@@H](C)C1CCCC1
InChIInChI=1S/C12H21N/c1-3-4-7-10-13-11(2)12-8-5-6-9-12/h11-13H,5-10H2,1-2H3/t11-/m0/s1
InChIKeyCVSIXFICGOUXPS-NSHDSACASA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
CID 116643527
4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
CID 81388332
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-(2-chloroethyl)-1-cyclohexylethanamine;hydrochloride
CID 173240168
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine (CID 104807377) is N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine is CC#CCCN[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine?
The InChIKey is CVSIXFICGOUXPS-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-7-10-13-11(2)12-8-5-6-9-12/h11-13H,5-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine?
N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-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-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine is sourced from PubChem (CID 104807377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).