(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine

C13H26N2 — CID 166745368

IUPAC(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
SMILESCCCCN/C(C)=C\C(C)=N\CC(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-14-12(4)9-13(5)15-10-11(2)3/h9,11,14H,6-8,10H2,1-5H3/b12-9-,15-13+
InChIKeyIBQXHCYQXSCBFT-HLQGATLPSA-N
MW210.36 g/mol
LogP3.40
Rot. Bonds7

About (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine

(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine (PubChem CID 166745368) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
PubChem CID166745368
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
SMILESCCCCN/C(C)=C\C(C)=N\CC(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-14-12(4)9-13(5)15-10-11(2)3/h9,11,14H,6-8,10H2,1-5H3/b12-9-,15-13+
InChIKeyIBQXHCYQXSCBFT-HLQGATLPSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine?
The IUPAC name of (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine (CID 166745368) is (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine?
The canonical SMILES for (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine is CCCCN/C(C)=C\C(C)=N\CC(C)C.
What is the InChIKey of (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine?
The InChIKey is IBQXHCYQXSCBFT-HLQGATLPSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-14-12(4)9-13(5)15-10-11(2)3/h9,11,14H,6-8,10H2,1-5H3/b12-9-,15-13+.
What are the key properties of (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine?
(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine is sourced from PubChem (CID 166745368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).