2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine

C20H29N — CID 43731152

IUPAC2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-15(21-20(5,6)14-19(2,3)4)17-13-9-11-16-10-7-8-12-18(16)17/h7-13,15,21H,14H2,1-6H3
InChIKeyUNILZQXCYCBYRJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.71
Rot. Bonds4

About 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine

2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine (PubChem CID 43731152) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
PubChem CID43731152
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-15(21-20(5,6)14-19(2,3)4)17-13-9-11-16-10-7-8-12-18(16)17/h7-13,15,21H,14H2,1-6H3
InChIKeyUNILZQXCYCBYRJ-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
CID 174906138
CID 174906138
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43731188

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine (CID 43731152) is 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine is CC(NC(C)(C)CC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine?
The InChIKey is UNILZQXCYCBYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-15(21-20(5,6)14-19(2,3)4)17-13-9-11-16-10-7-8-12-18(16)17/h7-13,15,21H,14H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine?
2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine is sourced from PubChem (CID 43731152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).