2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine

C19H27N — CID 115851112

IUPAC2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)C(C)(C)CC
InChIInChI=1S/C19H27N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h7-12,14,18,20H,5-6,13H2,1-4H3
InChIKeyKTZPZLSSENEATJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.32
Rot. Bonds6

About 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine

2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine (PubChem CID 115851112) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
PubChem CID115851112
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)C(C)(C)CC
InChIInChI=1S/C19H27N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h7-12,14,18,20H,5-6,13H2,1-4H3
InChIKeyKTZPZLSSENEATJ-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine (CID 115851112) is 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine is CCCNC(c1ccc2ccccc2c1)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine?
The InChIKey is KTZPZLSSENEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h7-12,14,18,20H,5-6,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine?
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine is sourced from PubChem (CID 115851112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).