2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine

C13H21N3 — CID 79176906

IUPAC2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CC2CCCC2)ncc1N
InChIInChI=1S/C13H21N3/c1-10-7-13(15-8-12(10)14)16(2)9-11-5-3-4-6-11/h7-8,11H,3-6,9,14H2,1-2H3
InChIKeyZNVLNZZQQNODSI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds3

About 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine

2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 79176906) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID79176906
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CC2CCCC2)ncc1N
InChIInChI=1S/C13H21N3/c1-10-7-13(15-8-12(10)14)16(2)9-11-5-3-4-6-11/h7-8,11H,3-6,9,14H2,1-2H3
InChIKeyZNVLNZZQQNODSI-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine (CID 79176906) is 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)CC2CCCC2)ncc1N.
What is the InChIKey of 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is ZNVLNZZQQNODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-13(15-8-12(10)14)16(2)9-11-5-3-4-6-11/h7-8,11H,3-6,9,14H2,1-2H3.
What are the key properties of 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 79176906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).