N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C14H23N3 — CID 43137570

IUPACN'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccn1)C1CCCC1
InChIInChI=1S/C14H23N3/c15-9-5-11-17(14-7-1-2-8-14)12-13-6-3-4-10-16-13/h3-4,6,10,14H,1-2,5,7-9,11-12,15H2
InChIKeyCPPPXJCCNCFUMP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds6

About N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 43137570) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID43137570
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccn1)C1CCCC1
InChIInChI=1S/C14H23N3/c15-9-5-11-17(14-7-1-2-8-14)12-13-6-3-4-10-16-13/h3-4,6,10,14H,1-2,5,7-9,11-12,15H2
InChIKeyCPPPXJCCNCFUMP-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
CID 70873996
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N-(3-propan-2-yloxypropyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 128967835
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 102875201
N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 77092740
N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041752
N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63992933

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 43137570) is N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is NCCCN(Cc1ccccn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is CPPPXJCCNCFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-9-5-11-17(14-7-1-2-8-14)12-13-6-3-4-10-16-13/h3-4,6,10,14H,1-2,5,7-9,11-12,15H2.
What are the key properties of N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43137570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).