N-(1-cyclopentylethyl)hex-5-yn-1-amine

C13H23N — CID 115893745

IUPACN-(1-cyclopentylethyl)hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C1CCCC1
InChIInChI=1S/C13H23N/c1-3-4-5-8-11-14-12(2)13-9-6-7-10-13/h1,12-14H,4-11H2,2H3
InChIKeySJVZFKIMIZSMDR-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds6

About N-(1-cyclopentylethyl)hex-5-yn-1-amine

N-(1-cyclopentylethyl)hex-5-yn-1-amine (PubChem CID 115893745) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)hex-5-yn-1-amine
PubChem CID115893745
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclopentylethyl)hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C1CCCC1
InChIInChI=1S/C13H23N/c1-3-4-5-8-11-14-12(2)13-9-6-7-10-13/h1,12-14H,4-11H2,2H3
InChIKeySJVZFKIMIZSMDR-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
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-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
CID 81388332
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)hex-5-yn-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)hex-5-yn-1-amine (CID 115893745) is N-(1-cyclopentylethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)hex-5-yn-1-amine is C#CCCCCNC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)hex-5-yn-1-amine?
The InChIKey is SJVZFKIMIZSMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-4-5-8-11-14-12(2)13-9-6-7-10-13/h1,12-14H,4-11H2,2H3.
What are the key properties of N-(1-cyclopentylethyl)hex-5-yn-1-amine?
N-(1-cyclopentylethyl)hex-5-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)hex-5-yn-1-amine is sourced from PubChem (CID 115893745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).