5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine

C12H24N2 — CID 173006700

IUPAC5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine
SMILESCC(=CC/C=N/CC(C)C)NC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)9-13-8-6-7-12(5)14-11(3)4/h7-8,10-11,14H,6,9H2,1-5H3/b12-7?,13-8+
InChIKeyOMBPFZJMBKRPCU-ITDQDNMZSA-N
MW196.34 g/mol
LogP3.01
Rot. Bonds6

About 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine

5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine (PubChem CID 173006700) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine.

Molecular Properties

Compound Name5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine
PubChem CID173006700
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine
SMILESCC(=CC/C=N/CC(C)C)NC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)9-13-8-6-7-12(5)14-11(3)4/h7-8,10-11,14H,6,9H2,1-5H3/b12-7?,13-8+
InChIKeyOMBPFZJMBKRPCU-ITDQDNMZSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine?
The IUPAC name of 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine (CID 173006700) is 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine.
What is the SMILES notation for 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine?
The canonical SMILES for 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine is CC(=CC/C=N/CC(C)C)NC(C)C.
What is the InChIKey of 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine?
The InChIKey is OMBPFZJMBKRPCU-ITDQDNMZSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)9-13-8-6-7-12(5)14-11(3)4/h7-8,10-11,14H,6,9H2,1-5H3/b12-7?,13-8+.
What are the key properties of 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine?
5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylimino)-N-propan-2-ylpent-2-en-2-amine is sourced from PubChem (CID 173006700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).