(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine

C13H26N2 — CID 142257769

IUPAC(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine
SMILESCC/C=N/CC/C=C/CN(C)CCCC
InChIInChI=1S/C13H26N2/c1-4-6-12-15(3)13-9-7-8-11-14-10-5-2/h7,9-10H,4-6,8,11-13H2,1-3H3/b9-7+,14-10+
InChIKeyISCOBSTUYARSIC-IESVIYHPSA-N
MW210.36 g/mol
LogP3.15
Rot. Bonds9

About (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine

(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine (PubChem CID 142257769) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine
PubChem CID142257769
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine
SMILESCC/C=N/CC/C=C/CN(C)CCCC
InChIInChI=1S/C13H26N2/c1-4-6-12-15(3)13-9-7-8-11-14-10-5-2/h7,9-10H,4-6,8,11-13H2,1-3H3/b9-7+,14-10+
InChIKeyISCOBSTUYARSIC-IESVIYHPSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Hex-4-enylidene-methyl-propylazanium
CID 90967761
Ethyl-ethylidene-(3-methylpent-3-enyl)azanium
CID 123358771
1-butyl-2-methyl-2H-pyrrol-1-ium
CID 149617568
(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
CID 154973458
N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
CID 160761937
[(E)-5-[cyclopropylmethyl(methyl)amino]pent-2-enylidene]-dimethylazanium
CID 168178311
(Z)-N-(3-ethyliminopropyl)-N-propan-2-ylhept-2-en-1-amine
CID 169846515
N'-[[(6Z,8R)-1,8-dimethyl-5,8-dihydro-2H-1,4-diazocin-3-yl]methylidene]-N-methylbutane-1,4-diimine
CID 173942691
[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride
CID 10354528
[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium
CID 10354529
N-ethyl-N-[[(Z)-[(E)-hex-2-enylidene]amino]methyl]butan-1-amine
CID 141940595

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine?
The IUPAC name of (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine (CID 142257769) is (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine.
What is the SMILES notation for (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine?
The canonical SMILES for (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine is CC/C=N/CC/C=C/CN(C)CCCC.
What is the InChIKey of (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine?
The InChIKey is ISCOBSTUYARSIC-IESVIYHPSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-6-12-15(3)13-9-7-8-11-14-10-5-2/h7,9-10H,4-6,8,11-13H2,1-3H3/b9-7+,14-10+.
What are the key properties of (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine?
(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine is sourced from PubChem (CID 142257769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).