N-ethyl-3,5-dimethylhept-5-en-2-amine

C11H23N — CID 91349472

IUPACN-ethyl-3,5-dimethylhept-5-en-2-amine
SMILESCC=C(C)CC(C)C(C)NCC
InChIInChI=1S/C11H23N/c1-6-9(3)8-10(4)11(5)12-7-2/h6,10-12H,7-8H2,1-5H3
InChIKeyXFQJVSWXMIWCJB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-3,5-dimethylhept-5-en-2-amine

N-ethyl-3,5-dimethylhept-5-en-2-amine (PubChem CID 91349472) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-3,5-dimethylhept-5-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethylhept-5-en-2-amine
PubChem CID91349472
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-3,5-dimethylhept-5-en-2-amine
SMILESCC=C(C)CC(C)C(C)NCC
InChIInChI=1S/C11H23N/c1-6-9(3)8-10(4)11(5)12-7-2/h6,10-12H,7-8H2,1-5H3
InChIKeyXFQJVSWXMIWCJB-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
3,7-Dimethyloct-6-en-1-amine
CID 3016807
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethylhept-5-en-2-amine?
The IUPAC name of N-ethyl-3,5-dimethylhept-5-en-2-amine (CID 91349472) is N-ethyl-3,5-dimethylhept-5-en-2-amine.
What is the SMILES notation for N-ethyl-3,5-dimethylhept-5-en-2-amine?
The canonical SMILES for N-ethyl-3,5-dimethylhept-5-en-2-amine is CC=C(C)CC(C)C(C)NCC.
What is the InChIKey of N-ethyl-3,5-dimethylhept-5-en-2-amine?
The InChIKey is XFQJVSWXMIWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(3)8-10(4)11(5)12-7-2/h6,10-12H,7-8H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethylhept-5-en-2-amine?
N-ethyl-3,5-dimethylhept-5-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethylhept-5-en-2-amine is sourced from PubChem (CID 91349472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).