1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C17H27N — CID 115419755

IUPAC1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCCCCC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C17H27N/c1-3-4-5-8-12-17(18)13-11-14(2)15-9-6-7-10-16(15)17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3
InChIKeyOYUCJFLUSMWLQH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.71
Rot. Bonds5

About 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419755) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419755
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCCCCC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C17H27N/c1-3-4-5-8-12-17(18)13-11-14(2)15-9-6-7-10-16(15)17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3
InChIKeyOYUCJFLUSMWLQH-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419809
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419894
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419799
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-(3-ethylcyclohexyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419750
N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
CID 115420243
4-[[1-heptyl-4-(2-methylphenyl)cyclohexyl]methyl]aniline
CID 22420565
4-[[1-hexyl-4-(2-methylphenyl)cyclohexyl]methyl]aniline
CID 22420619

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115419755) is 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is CCCCCCC1(N)CCC(C)c2ccccc21.
What is the InChIKey of 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OYUCJFLUSMWLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-4-5-8-12-17(18)13-11-14(2)15-9-6-7-10-16(15)17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3.
What are the key properties of 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).