N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine

C11H19N — CID 134994972

IUPACN-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine
SMILESC=CCC(C=C=CC)CNCC
InChIInChI=1S/C11H19N/c1-4-7-9-11(8-5-2)10-12-6-3/h4-5,9,11-12H,2,6,8,10H2,1,3H3
InChIKeyVUMUINLEQCPFDK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.52
Rot. Bonds6

About N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine

N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine (PubChem CID 134994972) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine
PubChem CID134994972
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine
SMILESC=CCC(C=C=CC)CNCC
InChIInChI=1S/C11H19N/c1-4-7-9-11(8-5-2)10-12-6-3/h4-5,9,11-12H,2,6,8,10H2,1,3H3
InChIKeyVUMUINLEQCPFDK-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.52
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

3-Vinylpyrrolidine
CID 14815780
Ethyl(pent-4-en-1-yl)amine hydrochloride
CID 132343950
N-Propylpent-4-en-1-amine
CID 12397189
N-butylpent-4-en-1-amine
CID 15570247
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
N,2,2-trimethylpent-4-en-1-amine
CID 12172226
(Hex-5-en-1-yl)(propyl)amine
CID 12397191
2-Propylamino-5-hexene
CID 12541939
Bis(2-isopropylallyl)amine
CID 21496896
N-but-3-enylhex-5-en-1-amine
CID 85905358
3,4-Pyrrolidinediylethylene
CID 121255159
N-propylhepta-4,5-dien-1-amine
CID 134890021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine?
The IUPAC name of N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine (CID 134994972) is N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine.
What is the SMILES notation for N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine?
The canonical SMILES for N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine is C=CCC(C=C=CC)CNCC.
What is the InChIKey of N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine?
The InChIKey is VUMUINLEQCPFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-7-9-11(8-5-2)10-12-6-3/h4-5,9,11-12H,2,6,8,10H2,1,3H3.
What are the key properties of N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine?
N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-prop-2-enylhexa-3,4-dien-1-amine is sourced from PubChem (CID 134994972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).