(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine

C11H23N — CID 13212925

IUPAC(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine
SMILESCCC/C=C(\CC)CCN(C)C
InChIInChI=1S/C11H23N/c1-5-7-8-11(6-2)9-10-12(3)4/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyIJJDHPONKGBWKQ-DHZHZOJOSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds6

About (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine

(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine (PubChem CID 13212925) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine
PubChem CID13212925
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine
SMILESCCC/C=C(\CC)CCN(C)C
InChIInChI=1S/C11H23N/c1-5-7-8-11(6-2)9-10-12(3)4/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyIJJDHPONKGBWKQ-DHZHZOJOSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine
CID 448904
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
2-Aza-2,3-dihydrosqualene N-oxide
CID 5386478
1-Geranylpiperidine
CID 12760939
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
2-Aza-2-dihydrosqualene
CID 6439791

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine?
The IUPAC name of (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine (CID 13212925) is (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine.
What is the SMILES notation for (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine?
The canonical SMILES for (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine is CCC/C=C(\CC)CCN(C)C.
What is the InChIKey of (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine?
The InChIKey is IJJDHPONKGBWKQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-8-11(6-2)9-10-12(3)4/h8H,5-7,9-10H2,1-4H3/b11-8+.
What are the key properties of (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine?
(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N,N-dimethylhept-3-en-1-amine is sourced from PubChem (CID 13212925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).