N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine

C16H21N3 — CID 59849461

IUPACN-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
SMILESCC(C)(C)c1cncc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-8-15(11-18-10-13)19-14-6-4-5-12(7-14)9-17/h4-8,10-11,19H,9,17H2,1-3H3
InChIKeyNSHUFIURQQEGRA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.58
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine

N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine (PubChem CID 59849461) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
PubChem CID59849461
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
SMILESCC(C)(C)c1cncc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-8-15(11-18-10-13)19-14-6-4-5-12(7-14)9-17/h4-8,10-11,19H,9,17H2,1-3H3
InChIKeyNSHUFIURQQEGRA-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-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

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022985
3-[3-(aminomethyl)anilino]benzonitrile
CID 117027344
N-[3-(aminomethyl)phenyl]cinnolin-4-amine
CID 63767613
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine (CID 59849461) is N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine is CC(C)(C)c1cncc(Nc2cccc(CN)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine?
The InChIKey is NSHUFIURQQEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-8-15(11-18-10-13)19-14-6-4-5-12(7-14)9-17/h4-8,10-11,19H,9,17H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine?
N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine is sourced from PubChem (CID 59849461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).