N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine

C13H23N3 — CID 43273458

IUPACN-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1cccnc1
InChIInChI=1S/C13H23N3/c1-4-16(10-11(2)3)13(8-14)12-6-5-7-15-9-12/h5-7,9,11,13H,4,8,10,14H2,1-3H3
InChIKeyCYLJUCJLKQQASG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine

N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 43273458) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID43273458
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1cccnc1
InChIInChI=1S/C13H23N3/c1-4-16(10-11(2)3)13(8-14)12-6-5-7-15-9-12/h5-7,9,11,13H,4,8,10,14H2,1-3H3
InChIKeyCYLJUCJLKQQASG-UHFFFAOYSA-N
XLogP2.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.06
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
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine (CID 43273458) is N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine is CCN(CC(C)C)C(CN)c1cccnc1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is CYLJUCJLKQQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16(10-11(2)3)13(8-14)12-6-5-7-15-9-12/h5-7,9,11,13H,4,8,10,14H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 43273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).