2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine

C19H27N — CID 83142738

IUPAC2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
SMILESCC(NCC(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C19H27N/c1-14(19(3,4)5)13-20-15(2)17-11-10-16-8-6-7-9-18(16)12-17/h6-12,14-15,20H,13H2,1-5H3
InChIKeyVUXYJNJLMOWRQR-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.17
Rot. Bonds4

About 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine

2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine (PubChem CID 83142738) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
PubChem CID83142738
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
SMILESCC(NCC(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C19H27N/c1-14(19(3,4)5)13-20-15(2)17-11-10-16-8-6-7-9-18(16)12-17/h6-12,14-15,20H,13H2,1-5H3
InChIKeyVUXYJNJLMOWRQR-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141596
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine (CID 83142738) is 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine is CC(NCC(C)C(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine?
The InChIKey is VUXYJNJLMOWRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-14(19(3,4)5)13-20-15(2)17-11-10-16-8-6-7-9-18(16)12-17/h6-12,14-15,20H,13H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine?
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine is sourced from PubChem (CID 83142738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).