3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine

C12H19N3 — CID 79469541

IUPAC3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
SMILESCN(Cc1ccccn1)C1CCC(N)C1
InChIInChI=1S/C12H19N3/c1-15(12-6-5-10(13)8-12)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3
InChIKeyQQQCWELDLBCHTI-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.39
Rot. Bonds3

About 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine

3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 79469541) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
PubChem CID79469541
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
SMILESCN(Cc1ccccn1)C1CCC(N)C1
InChIInChI=1S/C12H19N3/c1-15(12-6-5-10(13)8-12)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3
InChIKeyQQQCWELDLBCHTI-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
CID 70873996
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
4-N-[(2-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121431
2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 80999490
N-[(1R,3R)-3-aminocyclopentyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 56868905
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine (CID 79469541) is 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine is CN(Cc1ccccn1)C1CCC(N)C1.
What is the InChIKey of 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is QQQCWELDLBCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(12-6-5-10(13)8-12)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3.
What are the key properties of 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine?
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79469541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).