N-ethyl-N,3,7-trimethyloct-6-en-1-amine

C13H27N — CID 170848268

IUPACN-ethyl-N,3,7-trimethyloct-6-en-1-amine
SMILESCCN(C)CCC(C)CCC=C(C)C
InChIInChI=1S/C13H27N/c1-6-14(5)11-10-13(4)9-7-8-12(2)3/h8,13H,6-7,9-11H2,1-5H3
InChIKeyLAZXYMRCGHSZRV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds7

About N-ethyl-N,3,7-trimethyloct-6-en-1-amine

N-ethyl-N,3,7-trimethyloct-6-en-1-amine (PubChem CID 170848268) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-N,3,7-trimethyloct-6-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,3,7-trimethyloct-6-en-1-amine
PubChem CID170848268
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-N,3,7-trimethyloct-6-en-1-amine
SMILESCCN(C)CCC(C)CCC=C(C)C
InChIInChI=1S/C13H27N/c1-6-14(5)11-10-13(4)9-7-8-12(2)3/h8,13H,6-7,9-11H2,1-5H3
InChIKeyLAZXYMRCGHSZRV-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,7-trimethyloct-6-en-1-amine?
The IUPAC name of N-ethyl-N,3,7-trimethyloct-6-en-1-amine (CID 170848268) is N-ethyl-N,3,7-trimethyloct-6-en-1-amine.
What is the SMILES notation for N-ethyl-N,3,7-trimethyloct-6-en-1-amine?
The canonical SMILES for N-ethyl-N,3,7-trimethyloct-6-en-1-amine is CCN(C)CCC(C)CCC=C(C)C.
What is the InChIKey of N-ethyl-N,3,7-trimethyloct-6-en-1-amine?
The InChIKey is LAZXYMRCGHSZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-14(5)11-10-13(4)9-7-8-12(2)3/h8,13H,6-7,9-11H2,1-5H3.
What are the key properties of N-ethyl-N,3,7-trimethyloct-6-en-1-amine?
N-ethyl-N,3,7-trimethyloct-6-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,7-trimethyloct-6-en-1-amine is sourced from PubChem (CID 170848268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).