2-hexan-3-ylnaphthalen-1-amine

C16H21N — CID 22706829

IUPAC2-hexan-3-ylnaphthalen-1-amine
SMILESCCCC(CC)c1ccc2ccccc2c1N
InChIInChI=1S/C16H21N/c1-3-7-12(4-2)15-11-10-13-8-5-6-9-14(13)16(15)17/h5-6,8-12H,3-4,7,17H2,1-2H3
InChIKeyQLKARVWZMAAVJO-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.72
Rot. Bonds4

About 2-hexan-3-ylnaphthalen-1-amine

2-hexan-3-ylnaphthalen-1-amine (PubChem CID 22706829) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-hexan-3-ylnaphthalen-1-amine.

Molecular Properties

Compound Name2-hexan-3-ylnaphthalen-1-amine
PubChem CID22706829
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-hexan-3-ylnaphthalen-1-amine
SMILESCCCC(CC)c1ccc2ccccc2c1N
InChIInChI=1S/C16H21N/c1-3-7-12(4-2)15-11-10-13-8-5-6-9-14(13)16(15)17/h5-6,8-12H,3-4,7,17H2,1-2H3
InChIKeyQLKARVWZMAAVJO-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminonaphthalen-2-yl)propanal
CID 174544032
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
2,6-di(heptan-4-yl)aniline;2,6-di(nonan-5-yl)aniline
CID 161487195
1-octacosan-4-ylnaphthalene
CID 54149804
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
2-(2-hexan-3-ylphenyl)phenol
CID 66866315
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
2-hexadecylnaphthalen-1-amine
CID 57354886
2-bromonaphthalen-1-amine
CID 10889478
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
4-(7-hydroxynaphthalen-1-yl)heptanamide
CID 91045091
3-naphthalen-1-ylheptan-1-amine
CID 142028314

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-ylnaphthalen-1-amine?
The IUPAC name of 2-hexan-3-ylnaphthalen-1-amine (CID 22706829) is 2-hexan-3-ylnaphthalen-1-amine.
What is the SMILES notation for 2-hexan-3-ylnaphthalen-1-amine?
The canonical SMILES for 2-hexan-3-ylnaphthalen-1-amine is CCCC(CC)c1ccc2ccccc2c1N.
What is the InChIKey of 2-hexan-3-ylnaphthalen-1-amine?
The InChIKey is QLKARVWZMAAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-7-12(4-2)15-11-10-13-8-5-6-9-14(13)16(15)17/h5-6,8-12H,3-4,7,17H2,1-2H3.
What are the key properties of 2-hexan-3-ylnaphthalen-1-amine?
2-hexan-3-ylnaphthalen-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-ylnaphthalen-1-amine is sourced from PubChem (CID 22706829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).