6-methyl-1-pyridin-3-ylheptan-3-amine

C13H22N2 — CID 105127244

IUPAC6-methyl-1-pyridin-3-ylheptan-3-amine
SMILESCC(C)CCC(N)CCc1cccnc1
InChIInChI=1S/C13H22N2/c1-11(2)5-7-13(14)8-6-12-4-3-9-15-10-12/h3-4,9-11,13H,5-8,14H2,1-2H3
InChIKeyCTGHXGBPRBIWOP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.78
Rot. Bonds6

About 6-methyl-1-pyridin-3-ylheptan-3-amine

6-methyl-1-pyridin-3-ylheptan-3-amine (PubChem CID 105127244) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-methyl-1-pyridin-3-ylheptan-3-amine.

Molecular Properties

Compound Name6-methyl-1-pyridin-3-ylheptan-3-amine
PubChem CID105127244
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name6-methyl-1-pyridin-3-ylheptan-3-amine
SMILESCC(C)CCC(N)CCc1cccnc1
InChIInChI=1S/C13H22N2/c1-11(2)5-7-13(14)8-6-12-4-3-9-15-10-12/h3-4,9-11,13H,5-8,14H2,1-2H3
InChIKeyCTGHXGBPRBIWOP-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-pyridin-3-ylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-3-ylhexan-3-amine
CID 64506028
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
3-(5-methylhexyl)pyridine
CID 54316004
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
3-(14-methylpentadecyl)pyridine
CID 19697272
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
(4-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 107895879
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pyridin-3-ylheptan-3-amine?
The IUPAC name of 6-methyl-1-pyridin-3-ylheptan-3-amine (CID 105127244) is 6-methyl-1-pyridin-3-ylheptan-3-amine.
What is the SMILES notation for 6-methyl-1-pyridin-3-ylheptan-3-amine?
The canonical SMILES for 6-methyl-1-pyridin-3-ylheptan-3-amine is CC(C)CCC(N)CCc1cccnc1.
What is the InChIKey of 6-methyl-1-pyridin-3-ylheptan-3-amine?
The InChIKey is CTGHXGBPRBIWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)5-7-13(14)8-6-12-4-3-9-15-10-12/h3-4,9-11,13H,5-8,14H2,1-2H3.
What are the key properties of 6-methyl-1-pyridin-3-ylheptan-3-amine?
6-methyl-1-pyridin-3-ylheptan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyridin-3-ylheptan-3-amine is sourced from PubChem (CID 105127244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).