1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine

C18H38N2 — CID 79067056

IUPAC1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-15-19-16(11-14-17(2,3)4)18(20(5)6)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3
InChIKeyDSHIEPIWYYLLAK-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds7

About 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine

1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79067056) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79067056
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-15-19-16(11-14-17(2,3)4)18(20(5)6)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3
InChIKeyDSHIEPIWYYLLAK-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine (CID 79067056) is 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine is CCCNC(CCC(C)(C)C)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is DSHIEPIWYYLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-15-19-16(11-14-17(2,3)4)18(20(5)6)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3.
What are the key properties of 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79067056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).