6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine

C12H19N3 — CID 80653540

IUPAC6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC1CCCC1)c1cccc(N)n1
InChIInChI=1S/C12H19N3/c1-15(9-10-5-2-3-6-10)12-8-4-7-11(13)14-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14)
InChIKeyAXSGODKKQYKRFA-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.29
Rot. Bonds3

About 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine

6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 80653540) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine
PubChem CID80653540
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC1CCCC1)c1cccc(N)n1
InChIInChI=1S/C12H19N3/c1-15(9-10-5-2-3-6-10)12-8-4-7-11(13)14-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14)
InChIKeyAXSGODKKQYKRFA-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine (CID 80653540) is 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine is CN(CC1CCCC1)c1cccc(N)n1.
What is the InChIKey of 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is AXSGODKKQYKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(9-10-5-2-3-6-10)12-8-4-7-11(13)14-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14).
What are the key properties of 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine?
6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80653540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).