4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine

C18H28N2 — CID 115532055

IUPAC4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
SMILESCC1(C)CCc2ccccc2C1NC1CCC(N)CC1
InChIInChI=1S/C18H28N2/c1-18(2)12-11-13-5-3-4-6-16(13)17(18)20-15-9-7-14(19)8-10-15/h3-6,14-15,17,20H,7-12,19H2,1-2H3
InChIKeyJELUSNHILULVAT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds2

About 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine

4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine (PubChem CID 115532055) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
PubChem CID115532055
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
SMILESCC1(C)CCc2ccccc2C1NC1CCC(N)CC1
InChIInChI=1S/C18H28N2/c1-18(2)12-11-13-5-3-4-6-16(13)17(18)20-15-9-7-14(19)8-10-15/h3-6,14-15,17,20H,7-12,19H2,1-2H3
InChIKeyJELUSNHILULVAT-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine (CID 115532055) is 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine is CC1(C)CCc2ccccc2C1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine?
The InChIKey is JELUSNHILULVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)12-11-13-5-3-4-6-16(13)17(18)20-15-9-7-14(19)8-10-15/h3-6,14-15,17,20H,7-12,19H2,1-2H3.
What are the key properties of 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine?
4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115532055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).