N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine

C13H21N3 — CID 43270152

IUPACN-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1cccnc1
InChIInChI=1S/C13H21N3/c1-2-8-16(12-5-6-12)13(9-14)11-4-3-7-15-10-11/h3-4,7,10,12-13H,2,5-6,8-9,14H2,1H3
InChIKeyBHTHIMNSOUOYRS-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.96
Rot. Bonds6

About N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine

N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 43270152) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
PubChem CID43270152
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1cccnc1
InChIInChI=1S/C13H21N3/c1-2-8-16(12-5-6-12)13(9-14)11-4-3-7-15-10-11/h3-4,7,10,12-13H,2,5-6,8-9,14H2,1H3
InChIKeyBHTHIMNSOUOYRS-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511
N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 83088578
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine (CID 43270152) is N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1cccnc1.
What is the InChIKey of N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is BHTHIMNSOUOYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-8-16(12-5-6-12)13(9-14)11-4-3-7-15-10-11/h3-4,7,10,12-13H,2,5-6,8-9,14H2,1H3.
What are the key properties of N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine?
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 43270152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).