N-heptan-4-yl-2-methylpyridin-3-amine

C13H22N2 — CID 79041717

IUPACN-heptan-4-yl-2-methylpyridin-3-amine
SMILESCCCC(CCC)Nc1cccnc1C
InChIInChI=1S/C13H22N2/c1-4-7-12(8-5-2)15-13-9-6-10-14-11(13)3/h6,9-10,12,15H,4-5,7-8H2,1-3H3
InChIKeyXAXIQJBMROVXSI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds6

About N-heptan-4-yl-2-methylpyridin-3-amine

N-heptan-4-yl-2-methylpyridin-3-amine (PubChem CID 79041717) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-heptan-4-yl-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-heptan-4-yl-2-methylpyridin-3-amine
PubChem CID79041717
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-heptan-4-yl-2-methylpyridin-3-amine
SMILESCCCC(CCC)Nc1cccnc1C
InChIInChI=1S/C13H22N2/c1-4-7-12(8-5-2)15-13-9-6-10-14-11(13)3/h6,9-10,12,15H,4-5,7-8H2,1-3H3
InChIKeyXAXIQJBMROVXSI-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-undecan-6-ylpyridin-3-amine
CID 79042417
N-heptan-4-yl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945603
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
CID 97044827
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096852
N-(4-methoxybutan-2-yl)-2-methylpyridin-3-amine
CID 79042219
N-[1-(4-butylphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041686
2-chloro-N-heptan-4-ylaniline
CID 29274819
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-methylpyridin-3-amine?
The IUPAC name of N-heptan-4-yl-2-methylpyridin-3-amine (CID 79041717) is N-heptan-4-yl-2-methylpyridin-3-amine.
What is the SMILES notation for N-heptan-4-yl-2-methylpyridin-3-amine?
The canonical SMILES for N-heptan-4-yl-2-methylpyridin-3-amine is CCCC(CCC)Nc1cccnc1C.
What is the InChIKey of N-heptan-4-yl-2-methylpyridin-3-amine?
The InChIKey is XAXIQJBMROVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-12(8-5-2)15-13-9-6-10-14-11(13)3/h6,9-10,12,15H,4-5,7-8H2,1-3H3.
What are the key properties of N-heptan-4-yl-2-methylpyridin-3-amine?
N-heptan-4-yl-2-methylpyridin-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-methylpyridin-3-amine is sourced from PubChem (CID 79041717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).