(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine

C9H15N — CID 139250143

IUPAC(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
SMILESC=C/C=C/CNCC(=C)C
InChIInChI=1S/C9H15N/c1-4-5-6-7-10-8-9(2)3/h4-6,10H,1-2,7-8H2,3H3/b6-5+
InChIKeyKIONUNRLCSRPAV-AATRIKPKSA-N
MW137.23 g/mol
LogP1.89
Rot. Bonds5

About (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine

(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine (PubChem CID 139250143) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
PubChem CID139250143
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
SMILESC=C/C=C/CNCC(=C)C
InChIInChI=1S/C9H15N/c1-4-5-6-7-10-8-9(2)3/h4-6,10H,1-2,7-8H2,3H3/b6-5+
InChIKeyKIONUNRLCSRPAV-AATRIKPKSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-propylbut-2-en-1-amine
CID 20460692
3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
CID 67948027
2-Buten-1-amine, 3-methyl-N-2-propenyl-
CID 10877117
(E)-1-(2-propenylamino)-2,4-pentadiene
CID 12288410
Bis(methylallyl)-amin
CID 54462388
3-Vinyl-3-pyrroline
CID 91227950
(2E,4E)-N-prop-2-enylhexa-2,4-dien-1-amine
CID 118870996
3-Methyl-2,5-dihydro-1H-pyrrole
CID 13619721
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
CID 143114210
(2E,4E)-2-ethenyl-5-fluoro-N-methylhexa-2,4-dien-1-amine
CID 145171343

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine (CID 139250143) is (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine is C=C/C=C/CNCC(=C)C.
What is the InChIKey of (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The InChIKey is KIONUNRLCSRPAV-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-6-7-10-8-9(2)3/h4-6,10H,1-2,7-8H2,3H3/b6-5+.
What are the key properties of (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
(2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 139250143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).