N-ethyl-N,5,5-trimethylhexan-1-amine

C11H25N — CID 12031216

IUPACN-ethyl-N,5,5-trimethylhexan-1-amine
SMILESCCN(C)CCCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-6-12(5)10-8-7-9-11(2,3)4/h6-10H2,1-5H3
InChIKeyYLRSFLWGZUZPNL-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-N,5,5-trimethylhexan-1-amine

N-ethyl-N,5,5-trimethylhexan-1-amine (PubChem CID 12031216) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,5,5-trimethylhexan-1-amine
PubChem CID12031216
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-N,5,5-trimethylhexan-1-amine
SMILESCCN(C)CCCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-6-12(5)10-8-7-9-11(2,3)4/h6-10H2,1-5H3
InChIKeyYLRSFLWGZUZPNL-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
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-ethyl-N,5,5-trimethylhexan-1-amine?
The IUPAC name of N-ethyl-N,5,5-trimethylhexan-1-amine (CID 12031216) is N-ethyl-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for N-ethyl-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for N-ethyl-N,5,5-trimethylhexan-1-amine is CCN(C)CCCCC(C)(C)C.
What is the InChIKey of N-ethyl-N,5,5-trimethylhexan-1-amine?
The InChIKey is YLRSFLWGZUZPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-12(5)10-8-7-9-11(2,3)4/h6-10H2,1-5H3.
What are the key properties of N-ethyl-N,5,5-trimethylhexan-1-amine?
N-ethyl-N,5,5-trimethylhexan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 12031216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).