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

C11H19N3 — CID 65383709

IUPACN-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cccnc1
InChIInChI=1S/C11H19N3/c1-9(2)7-14-11(6-12)10-4-3-5-13-8-10/h3-5,8-9,11,14H,6-7,12H2,1-2H3
InChIKeySXLVEXGLAVRNFJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.33
Rot. Bonds5

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

N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 65383709) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID65383709
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cccnc1
InChIInChI=1S/C11H19N3/c1-9(2)7-14-11(6-12)10-4-3-5-13-8-10/h3-5,8-9,11,14H,6-7,12H2,1-2H3
InChIKeySXLVEXGLAVRNFJ-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
N-cyclopropyl-1-pyridin-3-ylethane-1,2-diamine
CID 62069804
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
CID 157252146
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
3-hydrazinyl-N,N-dimethyl-3-pyridin-3-ylpropan-1-amine
CID 105259347
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
CID 115898744

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine (CID 65383709) is N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine is CC(C)CNC(CN)c1cccnc1.
What is the InChIKey of N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is SXLVEXGLAVRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)7-14-11(6-12)10-4-3-5-13-8-10/h3-5,8-9,11,14H,6-7,12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine?
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 65383709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).