1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine

C15H25N3 — CID 62432306

IUPAC1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)Cc1ccccn1
InChIInChI=1S/C15H25N3/c1-13(6-5-11-16-14-8-9-14)18(2)12-15-7-3-4-10-17-15/h3-4,7,10,13-14,16H,5-6,8-9,11-12H2,1-2H3
InChIKeyGWNBWUHORIXSLW-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.43
Rot. Bonds8

About 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine (PubChem CID 62432306) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
PubChem CID62432306
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)Cc1ccccn1
InChIInChI=1S/C15H25N3/c1-13(6-5-11-16-14-8-9-14)18(2)12-15-7-3-4-10-17-15/h3-4,7,10,13-14,16H,5-6,8-9,11-12H2,1-2H3
InChIKeyGWNBWUHORIXSLW-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
N-[4-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455196
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine (CID 62432306) is 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine is CC(CCCNC1CC1)N(C)Cc1ccccn1.
What is the InChIKey of 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine?
The InChIKey is GWNBWUHORIXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(6-5-11-16-14-8-9-14)18(2)12-15-7-3-4-10-17-15/h3-4,7,10,13-14,16H,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 62432306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).