(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine

C11H19N — CID 143803419

IUPAC(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CN(C)CCC
InChIInChI=1S/C11H19N/c1-5-8-11(7-3)10-12(4)9-6-2/h5,7-8H,1,3,6,9-10H2,2,4H3/b11-8+
InChIKeyPSSGCVCLWILKCY-DHZHZOJOSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds6

About (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine

(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine (PubChem CID 143803419) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine
PubChem CID143803419
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CN(C)CCC
InChIInChI=1S/C11H19N/c1-5-8-11(7-3)10-12(4)9-6-2/h5,7-8H,1,3,6,9-10H2,2,4H3/b11-8+
InChIKeyPSSGCVCLWILKCY-DHZHZOJOSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol
CID 143022527
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
N'-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069294
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
ethane;[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl] (2Z,4Z)-2-ethenyl-3-formylhexa-2,4-dienoate;N-methyl-N-propylpropan-1-amine
CID 142171339
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine (CID 143803419) is (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)CN(C)CCC.
What is the InChIKey of (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine?
The InChIKey is PSSGCVCLWILKCY-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-11(7-3)10-12(4)9-6-2/h5,7-8H,1,3,6,9-10H2,2,4H3/b11-8+.
What are the key properties of (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine?
(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143803419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).