6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine

C18H40N2O — CID 139990772

IUPAC6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine
SMILESCC(CCCOCCCC(C)CCN(C)C)CCN(C)C
InChIInChI=1S/C18H40N2O/c1-17(11-13-19(3)4)9-7-15-21-16-8-10-18(2)12-14-20(5)6/h17-18H,7-16H2,1-6H3
InChIKeyMFEAIKBRUPENHU-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.74
Rot. Bonds14

About 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine

6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine (PubChem CID 139990772) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine.

Molecular Properties

Compound Name6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine
PubChem CID139990772
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine
SMILESCC(CCCOCCCC(C)CCN(C)C)CCN(C)C
InChIInChI=1S/C18H40N2O/c1-17(11-13-19(3)4)9-7-15-21-16-8-10-18(2)12-14-20(5)6/h17-18H,7-16H2,1-6H3
InChIKeyMFEAIKBRUPENHU-UHFFFAOYSA-N
XLogP3.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine?
The IUPAC name of 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine (CID 139990772) is 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine.
What is the SMILES notation for 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine?
The canonical SMILES for 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine is CC(CCCOCCCC(C)CCN(C)C)CCN(C)C.
What is the InChIKey of 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine?
The InChIKey is MFEAIKBRUPENHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-17(11-13-19(3)4)9-7-15-21-16-8-10-18(2)12-14-20(5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine?
6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 3.74, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine is sourced from PubChem (CID 139990772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).