4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine

C18H29N — CID 63455822

IUPAC4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCCC(C)C(C)NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C18H29N/c1-6-13(2)14(3)19-17-11-12-18(4,5)16-10-8-7-9-15(16)17/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyRAXNZYRDEHRNSU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.82
Rot. Bonds4

About 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 63455822) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID63455822
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCCC(C)C(C)NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C18H29N/c1-6-13(2)14(3)19-17-11-12-18(4,5)16-10-8-7-9-15(16)17/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyRAXNZYRDEHRNSU-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine (CID 63455822) is 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine is CCC(C)C(C)NC1CCC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is RAXNZYRDEHRNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-6-13(2)14(3)19-17-11-12-18(4,5)16-10-8-7-9-15(16)17/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 63455822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).