2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine

C13H21N3 — CID 62615408

IUPAC2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(Cc1ccncc1)CC1CCCC1N
InChIInChI=1S/C13H21N3/c1-16(9-11-5-7-15-8-6-11)10-12-3-2-4-13(12)14/h5-8,12-13H,2-4,9-10,14H2,1H3
InChIKeyVOIJYDZCKYSSTB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.64
Rot. Bonds4

About 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine

2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 62615408) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
PubChem CID62615408
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(Cc1ccncc1)CC1CCCC1N
InChIInChI=1S/C13H21N3/c1-16(9-11-5-7-15-8-6-11)10-12-3-2-4-13(12)14/h5-8,12-13H,2-4,9-10,14H2,1H3
InChIKeyVOIJYDZCKYSSTB-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine (CID 62615408) is 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine is CN(Cc1ccncc1)CC1CCCC1N.
What is the InChIKey of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is VOIJYDZCKYSSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16(9-11-5-7-15-8-6-11)10-12-3-2-4-13(12)14/h5-8,12-13H,2-4,9-10,14H2,1H3.
What are the key properties of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine?
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62615408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).