3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine

C20H29N — CID 114874570

IUPAC3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1c(C)ccc2ccccc12
InChIInChI=1S/C20H29N/c1-5-13-21-19(14-15(3)6-2)20-16(4)11-12-17-9-7-8-10-18(17)20/h7-12,15,19,21H,5-6,13-14H2,1-4H3
InChIKeyWXRJCTKGVBGRCN-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.63
Rot. Bonds7

About 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine

3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine (PubChem CID 114874570) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
PubChem CID114874570
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1c(C)ccc2ccccc12
InChIInChI=1S/C20H29N/c1-5-13-21-19(14-15(3)6-2)20-16(4)11-12-17-9-7-8-10-18(17)20/h7-12,15,19,21H,5-6,13-14H2,1-4H3
InChIKeyWXRJCTKGVBGRCN-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
CID 81432711
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine (CID 114874570) is 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1c(C)ccc2ccccc12.
What is the InChIKey of 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine?
The InChIKey is WXRJCTKGVBGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-5-13-21-19(14-15(3)6-2)20-16(4)11-12-17-9-7-8-10-18(17)20/h7-12,15,19,21H,5-6,13-14H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine?
3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 114874570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).