N,N-diethyl-5,5-dimethylhexan-1-amine

C12H27N — CID 12031214

IUPACN,N-diethyl-5,5-dimethylhexan-1-amine
SMILESCCN(CC)CCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-13(7-2)11-9-8-10-12(3,4)5/h6-11H2,1-5H3
InChIKeyLYKXUOXVKIEYPV-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About N,N-diethyl-5,5-dimethylhexan-1-amine

N,N-diethyl-5,5-dimethylhexan-1-amine (PubChem CID 12031214) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N-diethyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5,5-dimethylhexan-1-amine
PubChem CID12031214
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N-diethyl-5,5-dimethylhexan-1-amine
SMILESCCN(CC)CCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-13(7-2)11-9-8-10-12(3,4)5/h6-11H2,1-5H3
InChIKeyLYKXUOXVKIEYPV-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-diethyl-5,5-dimethylhexan-1-amine?
The IUPAC name of N,N-diethyl-5,5-dimethylhexan-1-amine (CID 12031214) is N,N-diethyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N,N-diethyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for N,N-diethyl-5,5-dimethylhexan-1-amine is CCN(CC)CCCCC(C)(C)C.
What is the InChIKey of N,N-diethyl-5,5-dimethylhexan-1-amine?
The InChIKey is LYKXUOXVKIEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-13(7-2)11-9-8-10-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of N,N-diethyl-5,5-dimethylhexan-1-amine?
N,N-diethyl-5,5-dimethylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 12031214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).