N-(2,5-dimethylcyclohexyl)naphthalen-1-amine

C18H23N — CID 64776146

IUPACN-(2,5-dimethylcyclohexyl)naphthalen-1-amine
SMILESCC1CCC(C)C(Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H23N/c1-13-10-11-14(2)18(12-13)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18-19H,10-12H2,1-2H3
InChIKeyNHBPTHGQNLCQED-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.08
Rot. Bonds2

About N-(2,5-dimethylcyclohexyl)naphthalen-1-amine

N-(2,5-dimethylcyclohexyl)naphthalen-1-amine (PubChem CID 64776146) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)naphthalen-1-amine
PubChem CID64776146
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(2,5-dimethylcyclohexyl)naphthalen-1-amine
SMILESCC1CCC(C)C(Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H23N/c1-13-10-11-14(2)18(12-13)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18-19H,10-12H2,1-2H3
InChIKeyNHBPTHGQNLCQED-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine
CID 139567562
N-(2,5-dimethylcyclohexyl)-2-methylquinolin-8-amine
CID 64762321
5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 64773910
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
CID 64761186
N-(2-propylcyclohexyl)naphthalen-1-amine
CID 154951720
2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile
CID 64762196
N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
CID 64761600
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107240249
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
N-naphthalen-1-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853527
N-(2,5-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 64762714

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)naphthalen-1-amine?
The IUPAC name of N-(2,5-dimethylcyclohexyl)naphthalen-1-amine (CID 64776146) is N-(2,5-dimethylcyclohexyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)naphthalen-1-amine?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)naphthalen-1-amine is CC1CCC(C)C(Nc2cccc3ccccc23)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)naphthalen-1-amine?
The InChIKey is NHBPTHGQNLCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-10-11-14(2)18(12-13)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18-19H,10-12H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)naphthalen-1-amine?
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine has a molecular weight of 253.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)naphthalen-1-amine is sourced from PubChem (CID 64776146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).