N-hexan-2-ylnaphthalen-1-amine

C16H21N — CID 43757471

IUPACN-hexan-2-ylnaphthalen-1-amine
SMILESCCCCC(C)Nc1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-3-4-8-13(2)17-16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,3-4,8H2,1-2H3
InChIKeyVTLCOYIBYYIABE-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.83
Rot. Bonds5

About N-hexan-2-ylnaphthalen-1-amine

N-hexan-2-ylnaphthalen-1-amine (PubChem CID 43757471) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-hexan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-hexan-2-ylnaphthalen-1-amine
PubChem CID43757471
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-hexan-2-ylnaphthalen-1-amine
SMILESCCCCC(C)Nc1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-3-4-8-13(2)17-16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,3-4,8H2,1-2H3
InChIKeyVTLCOYIBYYIABE-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
N-hexan-2-ylcinnolin-4-amine
CID 63586030
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
CID 174599012
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
methyl 2-(hexan-2-ylamino)benzoate
CID 43774536
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylnaphthalen-1-amine?
The IUPAC name of N-hexan-2-ylnaphthalen-1-amine (CID 43757471) is N-hexan-2-ylnaphthalen-1-amine.
What is the SMILES notation for N-hexan-2-ylnaphthalen-1-amine?
The canonical SMILES for N-hexan-2-ylnaphthalen-1-amine is CCCCC(C)Nc1cccc2ccccc12.
What is the InChIKey of N-hexan-2-ylnaphthalen-1-amine?
The InChIKey is VTLCOYIBYYIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-4-8-13(2)17-16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,3-4,8H2,1-2H3.
What are the key properties of N-hexan-2-ylnaphthalen-1-amine?
N-hexan-2-ylnaphthalen-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 43757471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).