3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine

C19H27N — CID 63890250

IUPAC3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-5-13-20-18(14-19(2,3)4)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,18,20H,5,13-14H2,1-4H3
InChIKeyYXOCYAVYSRCTJY-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.32
Rot. Bonds5

About 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine

3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine (PubChem CID 63890250) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
PubChem CID63890250
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-5-13-20-18(14-19(2,3)4)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,18,20H,5,13-14H2,1-4H3
InChIKeyYXOCYAVYSRCTJY-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
N-(2-cyclobutyloxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 62116847
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
1-(5-bromo-2-methoxyphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43493922
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine (CID 63890250) is 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
The InChIKey is YXOCYAVYSRCTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-5-13-20-18(14-19(2,3)4)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,18,20H,5,13-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine?
3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine is sourced from PubChem (CID 63890250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).