N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine

C13H27N — CID 138654347

IUPACN-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine
SMILESC=CN(C)C(C)(CC)C(C)(CC)CC
InChIInChI=1S/C13H27N/c1-8-12(5,9-2)13(6,10-3)14(7)11-4/h11H,4,8-10H2,1-3,5-7H3
InChIKeySFWIEVWOOIHCDG-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds6

About N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine

N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine (PubChem CID 138654347) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine.

Molecular Properties

Compound NameN-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine
PubChem CID138654347
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine
SMILESC=CN(C)C(C)(CC)C(C)(CC)CC
InChIInChI=1S/C13H27N/c1-8-12(5,9-2)13(6,10-3)14(7)11-4/h11H,4,8-10H2,1-3,5-7H3
InChIKeySFWIEVWOOIHCDG-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine?
The IUPAC name of N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine (CID 138654347) is N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine.
What is the SMILES notation for N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine?
The canonical SMILES for N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine is C=CN(C)C(C)(CC)C(C)(CC)CC.
What is the InChIKey of N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine?
The InChIKey is SFWIEVWOOIHCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-12(5,9-2)13(6,10-3)14(7)11-4/h11H,4,8-10H2,1-3,5-7H3.
What are the key properties of N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine?
N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-ethyl-N,3,4-trimethylhexan-3-amine is sourced from PubChem (CID 138654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).