N-hex-5-ynyl-2-methylcyclopentan-1-amine

C12H21N — CID 115694131

IUPACN-hex-5-ynyl-2-methylcyclopentan-1-amine
SMILESC#CCCCCNC1CCCC1C
InChIInChI=1S/C12H21N/c1-3-4-5-6-10-13-12-9-7-8-11(12)2/h1,11-13H,4-10H2,2H3
InChIKeyXCCIMEWEJVDBQO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds5

About N-hex-5-ynyl-2-methylcyclopentan-1-amine

N-hex-5-ynyl-2-methylcyclopentan-1-amine (PubChem CID 115694131) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-hex-5-ynyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-2-methylcyclopentan-1-amine
PubChem CID115694131
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-hex-5-ynyl-2-methylcyclopentan-1-amine
SMILESC#CCCCCNC1CCCC1C
InChIInChI=1S/C12H21N/c1-3-4-5-6-10-13-12-9-7-8-11(12)2/h1,11-13H,4-10H2,2H3
InChIKeyXCCIMEWEJVDBQO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
2-methyl-N-pent-3-ynylcyclopentan-1-amine
CID 104806874
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-hex-5-ynyl-2-methylcyclopentan-1-amine (CID 115694131) is N-hex-5-ynyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-hex-5-ynyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-hex-5-ynyl-2-methylcyclopentan-1-amine is C#CCCCCNC1CCCC1C.
What is the InChIKey of N-hex-5-ynyl-2-methylcyclopentan-1-amine?
The InChIKey is XCCIMEWEJVDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-5-6-10-13-12-9-7-8-11(12)2/h1,11-13H,4-10H2,2H3.
What are the key properties of N-hex-5-ynyl-2-methylcyclopentan-1-amine?
N-hex-5-ynyl-2-methylcyclopentan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115694131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).