N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C12H19N3 — CID 61349557

IUPACN'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccncc1)C1CC1
InChIInChI=1S/C12H19N3/c13-6-10-15(12-1-2-12)9-5-11-3-7-14-8-4-11/h3-4,7-8,12H,1-2,5-6,9-10,13H2
InChIKeyLPHDWZNQUZALCG-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.05
Rot. Bonds6

About N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 61349557) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID61349557
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccncc1)C1CC1
InChIInChI=1S/C12H19N3/c13-6-10-15(12-1-2-12)9-5-11-3-7-14-8-4-11/h3-4,7-8,12H,1-2,5-6,9-10,13H2
InChIKeyLPHDWZNQUZALCG-UHFFFAOYSA-N
XLogP1.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60774994
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
CID 86909109
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine
CID 96519458
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 61349557) is N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is NCCN(CCc1ccncc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is LPHDWZNQUZALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-6-10-15(12-1-2-12)9-5-11-3-7-14-8-4-11/h3-4,7-8,12H,1-2,5-6,9-10,13H2.
What are the key properties of N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 61349557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).