N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C20H39N — CID 14678759

IUPACN-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)CCCC(C)CCNC1CCC2CCCCC2C1
InChIInChI=1S/C20H39N/c1-16(2)7-6-8-17(3)13-14-21-20-12-11-18-9-4-5-10-19(18)15-20/h16-21H,4-15H2,1-3H3
InChIKeyKZQIPNPAFDVCLF-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds8

About N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 14678759) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID14678759
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)CCCC(C)CCNC1CCC2CCCCC2C1
InChIInChI=1S/C20H39N/c1-16(2)7-6-8-17(3)13-14-21-20-12-11-18-9-4-5-10-19(18)15-20/h16-21H,4-15H2,1-3H3
InChIKeyKZQIPNPAFDVCLF-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 14678759) is N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(C)CCCC(C)CCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is KZQIPNPAFDVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-16(2)7-6-8-17(3)13-14-21-20-12-11-18-9-4-5-10-19(18)15-20/h16-21H,4-15H2,1-3H3.
What are the key properties of N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyloctyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 14678759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).