3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine

C17H20N2 — CID 106315092

IUPAC3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine
SMILESCC1=CCCN(Cc2cc3ccccc3cc2N)C1
InChIInChI=1S/C17H20N2/c1-13-5-4-8-19(11-13)12-16-9-14-6-2-3-7-15(14)10-17(16)18/h2-3,5-7,9-10H,4,8,11-12,18H2,1H3
InChIKeyHOZPHUNMASPCCS-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.57
Rot. Bonds2

About 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine

3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine (PubChem CID 106315092) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine
PubChem CID106315092
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine
SMILESCC1=CCCN(Cc2cc3ccccc3cc2N)C1
InChIInChI=1S/C17H20N2/c1-13-5-4-8-19(11-13)12-16-9-14-6-2-3-7-15(14)10-17(16)18/h2-3,5-7,9-10H,4,8,11-12,18H2,1H3
InChIKeyHOZPHUNMASPCCS-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-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-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 61214111
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
CID 130865447
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704
3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
CID 61213687
3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
CID 61430608
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
N-[[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 106316895
2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 106316710
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole
CID 130638335
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine?
The IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine (CID 106315092) is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine is CC1=CCCN(Cc2cc3ccccc3cc2N)C1.
What is the InChIKey of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine?
The InChIKey is HOZPHUNMASPCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-5-4-8-19(11-13)12-16-9-14-6-2-3-7-15(14)10-17(16)18/h2-3,5-7,9-10H,4,8,11-12,18H2,1H3.
What are the key properties of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine?
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine has a molecular weight of 252.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 106315092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).