N,N,3-triethylhept-1-en-2-amine

C13H27N — CID 88971990

IUPACN,N,3-triethylhept-1-en-2-amine
SMILESC=C(C(CC)CCCC)N(CC)CC
InChIInChI=1S/C13H27N/c1-6-10-11-13(7-2)12(5)14(8-3)9-4/h13H,5-11H2,1-4H3
InChIKeyBEDLEKNLMWUMBE-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds8

About N,N,3-triethylhept-1-en-2-amine

N,N,3-triethylhept-1-en-2-amine (PubChem CID 88971990) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N,3-triethylhept-1-en-2-amine.

Molecular Properties

Compound NameN,N,3-triethylhept-1-en-2-amine
PubChem CID88971990
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N,3-triethylhept-1-en-2-amine
SMILESC=C(C(CC)CCCC)N(CC)CC
InChIInChI=1S/C13H27N/c1-6-10-11-13(7-2)12(5)14(8-3)9-4/h13H,5-11H2,1-4H3
InChIKeyBEDLEKNLMWUMBE-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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,N,3-triethylhept-1-en-2-amine?
The IUPAC name of N,N,3-triethylhept-1-en-2-amine (CID 88971990) is N,N,3-triethylhept-1-en-2-amine.
What is the SMILES notation for N,N,3-triethylhept-1-en-2-amine?
The canonical SMILES for N,N,3-triethylhept-1-en-2-amine is C=C(C(CC)CCCC)N(CC)CC.
What is the InChIKey of N,N,3-triethylhept-1-en-2-amine?
The InChIKey is BEDLEKNLMWUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-10-11-13(7-2)12(5)14(8-3)9-4/h13H,5-11H2,1-4H3.
What are the key properties of N,N,3-triethylhept-1-en-2-amine?
N,N,3-triethylhept-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethylhept-1-en-2-amine is sourced from PubChem (CID 88971990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).