N,N-diethyl-4,5,5-trimethylhexan-1-amine

C13H29N — CID 23542039

IUPACN,N-diethyl-4,5,5-trimethylhexan-1-amine
SMILESCCN(CC)CCCC(C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-14(8-2)11-9-10-12(3)13(4,5)6/h12H,7-11H2,1-6H3
InChIKeySJJNTMMMMOFUOX-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds6

About N,N-diethyl-4,5,5-trimethylhexan-1-amine

N,N-diethyl-4,5,5-trimethylhexan-1-amine (PubChem CID 23542039) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,N-diethyl-4,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4,5,5-trimethylhexan-1-amine
PubChem CID23542039
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,N-diethyl-4,5,5-trimethylhexan-1-amine
SMILESCCN(CC)CCCC(C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-14(8-2)11-9-10-12(3)13(4,5)6/h12H,7-11H2,1-6H3
InChIKeySJJNTMMMMOFUOX-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5,5-trimethylhexan-1-amine?
The IUPAC name of N,N-diethyl-4,5,5-trimethylhexan-1-amine (CID 23542039) is N,N-diethyl-4,5,5-trimethylhexan-1-amine.
What is the SMILES notation for N,N-diethyl-4,5,5-trimethylhexan-1-amine?
The canonical SMILES for N,N-diethyl-4,5,5-trimethylhexan-1-amine is CCN(CC)CCCC(C)C(C)(C)C.
What is the InChIKey of N,N-diethyl-4,5,5-trimethylhexan-1-amine?
The InChIKey is SJJNTMMMMOFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-14(8-2)11-9-10-12(3)13(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of N,N-diethyl-4,5,5-trimethylhexan-1-amine?
N,N-diethyl-4,5,5-trimethylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 23542039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).