N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine

C12H19N3 — CID 102874472

IUPACN'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1ccccn1)C1CCC1
InChIInChI=1S/C12H19N3/c13-8-4-10-15(11-5-3-6-11)12-7-1-2-9-14-12/h1-2,7,9,11H,3-6,8,10,13H2
InChIKeyPUVBHERYRXRMKS-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.79
Rot. Bonds5

About N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine

N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 102874472) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID102874472
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1ccccn1)C1CCC1
InChIInChI=1S/C12H19N3/c13-8-4-10-15(11-5-3-6-11)12-7-1-2-9-14-12/h1-2,7,9,11H,3-6,8,10,13H2
InChIKeyPUVBHERYRXRMKS-UHFFFAOYSA-N
XLogP1.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
N'-cyclopropyl-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43137158
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N'-cyclobutyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 102874546
N'-(5-bromoisoquinolin-1-yl)-N'-cyclobutylpropane-1,3-diamine
CID 106543638
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine (CID 102874472) is N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine is NCCCN(c1ccccn1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is PUVBHERYRXRMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-8-4-10-15(11-5-3-6-11)12-7-1-2-9-14-12/h1-2,7,9,11H,3-6,8,10,13H2.
What are the key properties of N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine?
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 102874472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).