(1-pent-3-ynylcyclopentyl)methanamine

C11H19N — CID 126977362

IUPAC(1-pent-3-ynylcyclopentyl)methanamine
SMILESCC#CCCC1(CN)CCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h4-10,12H2,1H3
InChIKeyWABCDMXKKQBTJG-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.31
Rot. Bonds3

About (1-pent-3-ynylcyclopentyl)methanamine

(1-pent-3-ynylcyclopentyl)methanamine (PubChem CID 126977362) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1-pent-3-ynylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-pent-3-ynylcyclopentyl)methanamine
PubChem CID126977362
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1-pent-3-ynylcyclopentyl)methanamine
SMILESCC#CCCC1(CN)CCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h4-10,12H2,1H3
InChIKeyWABCDMXKKQBTJG-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 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 ≤ 52.31
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

(1-pent-3-ynylcyclobutyl)methanamine
CID 130514795
(1-pent-3-ynylcyclopropyl)methanamine
CID 130515221
(1-pentylcyclopentyl)methanamine
CID 62725889
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
(1-ethylcyclooctyl)methanamine
CID 80604065
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-methyl-2-pent-3-ynylazepane
CID 104806626
8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320

Frequently Asked Questions

What is the IUPAC name of (1-pent-3-ynylcyclopentyl)methanamine?
The IUPAC name of (1-pent-3-ynylcyclopentyl)methanamine (CID 126977362) is (1-pent-3-ynylcyclopentyl)methanamine.
What is the SMILES notation for (1-pent-3-ynylcyclopentyl)methanamine?
The canonical SMILES for (1-pent-3-ynylcyclopentyl)methanamine is CC#CCCC1(CN)CCCC1.
What is the InChIKey of (1-pent-3-ynylcyclopentyl)methanamine?
The InChIKey is WABCDMXKKQBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h4-10,12H2,1H3.
What are the key properties of (1-pent-3-ynylcyclopentyl)methanamine?
(1-pent-3-ynylcyclopentyl)methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pent-3-ynylcyclopentyl)methanamine is sourced from PubChem (CID 126977362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).