N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine

C14H18N2 — CID 115898275

IUPACN-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNC(c1ccccn1)C1CCCC1
InChIInChI=1S/C14H18N2/c1-2-10-16-14(12-7-3-4-8-12)13-9-5-6-11-15-13/h1,5-6,9,11-12,14,16H,3-4,7-8,10H2
InChIKeyKFCBHPIWVYYXRB-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.54
Rot. Bonds4

About N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine

N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine (PubChem CID 115898275) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
PubChem CID115898275
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNC(c1ccccn1)C1CCCC1
InChIInChI=1S/C14H18N2/c1-2-10-16-14(12-7-3-4-8-12)13-9-5-6-11-15-13/h1,5-6,9,11-12,14,16H,3-4,7-8,10H2
InChIKeyKFCBHPIWVYYXRB-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine (CID 115898275) is N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine is C#CCNC(c1ccccn1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine?
The InChIKey is KFCBHPIWVYYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-10-16-14(12-7-3-4-8-12)13-9-5-6-11-15-13/h1,5-6,9,11-12,14,16H,3-4,7-8,10H2.
What are the key properties of N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine?
N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 115898275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).