1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine

C16H26N2 — CID 114193168

IUPAC1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
SMILESCNC(CCc1ccccn1)CCC1CCCC1
InChIInChI=1S/C16H26N2/c1-17-15(10-9-14-6-2-3-7-14)11-12-16-8-4-5-13-18-16/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3
InChIKeyQAOMJZWJEQJGJV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds7

About 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine

1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine (PubChem CID 114193168) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
PubChem CID114193168
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
SMILESCNC(CCc1ccccn1)CCC1CCCC1
InChIInChI=1S/C16H26N2/c1-17-15(10-9-14-6-2-3-7-14)11-12-16-8-4-5-13-18-16/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3
InChIKeyQAOMJZWJEQJGJV-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine (CID 114193168) is 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine is CNC(CCc1ccccn1)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine?
The InChIKey is QAOMJZWJEQJGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-15(10-9-14-6-2-3-7-14)11-12-16-8-4-5-13-18-16/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine?
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine is sourced from PubChem (CID 114193168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).