3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine

C18H25N — CID 55188123

IUPAC3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-12-19-18(13-14(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyZQYBPMJIMFEUSQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.93
Rot. Bonds6

About 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine

3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine (PubChem CID 55188123) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
PubChem CID55188123
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-12-19-18(13-14(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyZQYBPMJIMFEUSQ-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-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

N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 63890250
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-(2-cyclobutyloxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 62116847
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
CID 167919622

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine (CID 55188123) is 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The InChIKey is ZQYBPMJIMFEUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-12-19-18(13-14(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3.
What are the key properties of 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine is sourced from PubChem (CID 55188123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).