2-methyl-N-pent-3-ynylcyclopentan-1-amine

C11H19N — CID 104806874

IUPAC2-methyl-N-pent-3-ynylcyclopentan-1-amine
SMILESCC#CCCNC1CCCC1C
InChIInChI=1S/C11H19N/c1-3-4-5-9-12-11-8-6-7-10(11)2/h10-12H,5-9H2,1-2H3
InChIKeyHSRZGKIHRONSTK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-N-pent-3-ynylcyclopentan-1-amine

2-methyl-N-pent-3-ynylcyclopentan-1-amine (PubChem CID 104806874) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-pent-3-ynylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-pent-3-ynylcyclopentan-1-amine
PubChem CID104806874
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-pent-3-ynylcyclopentan-1-amine
SMILESCC#CCCNC1CCCC1C
InChIInChI=1S/C11H19N/c1-3-4-5-9-12-11-8-6-7-10(11)2/h10-12H,5-9H2,1-2H3
InChIKeyHSRZGKIHRONSTK-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.18
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-hex-5-ynyl-2-methylcyclopentan-1-amine
CID 115694131
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile
CID 175601002
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-3-ynylcyclopentan-1-amine?
The IUPAC name of 2-methyl-N-pent-3-ynylcyclopentan-1-amine (CID 104806874) is 2-methyl-N-pent-3-ynylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-pent-3-ynylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-pent-3-ynylcyclopentan-1-amine is CC#CCCNC1CCCC1C.
What is the InChIKey of 2-methyl-N-pent-3-ynylcyclopentan-1-amine?
The InChIKey is HSRZGKIHRONSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-9-12-11-8-6-7-10(11)2/h10-12H,5-9H2,1-2H3.
What are the key properties of 2-methyl-N-pent-3-ynylcyclopentan-1-amine?
2-methyl-N-pent-3-ynylcyclopentan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-3-ynylcyclopentan-1-amine is sourced from PubChem (CID 104806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).