4-methylimino-N-pentan-2-ylpent-2-en-2-amine

C11H22N2 — CID 174095107

IUPAC4-methylimino-N-pentan-2-ylpent-2-en-2-amine
SMILESCCCC(C)NC(C)=C/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-6-7-9(2)13-11(4)8-10(3)12-5/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+
InChIKeyUXIWYRMNNQIQQD-HYGUTGTHSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds5

About 4-methylimino-N-pentan-2-ylpent-2-en-2-amine

4-methylimino-N-pentan-2-ylpent-2-en-2-amine (PubChem CID 174095107) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methylimino-N-pentan-2-ylpent-2-en-2-amine.

Molecular Properties

Compound Name4-methylimino-N-pentan-2-ylpent-2-en-2-amine
PubChem CID174095107
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-methylimino-N-pentan-2-ylpent-2-en-2-amine
SMILESCCCC(C)NC(C)=C/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-6-7-9(2)13-11(4)8-10(3)12-5/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+
InChIKeyUXIWYRMNNQIQQD-HYGUTGTHSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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 4-methylimino-N-pentan-2-ylpent-2-en-2-amine?
The IUPAC name of 4-methylimino-N-pentan-2-ylpent-2-en-2-amine (CID 174095107) is 4-methylimino-N-pentan-2-ylpent-2-en-2-amine.
What is the SMILES notation for 4-methylimino-N-pentan-2-ylpent-2-en-2-amine?
The canonical SMILES for 4-methylimino-N-pentan-2-ylpent-2-en-2-amine is CCCC(C)NC(C)=C/C(C)=N/C.
What is the InChIKey of 4-methylimino-N-pentan-2-ylpent-2-en-2-amine?
The InChIKey is UXIWYRMNNQIQQD-HYGUTGTHSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-9(2)13-11(4)8-10(3)12-5/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+.
What are the key properties of 4-methylimino-N-pentan-2-ylpent-2-en-2-amine?
4-methylimino-N-pentan-2-ylpent-2-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimino-N-pentan-2-ylpent-2-en-2-amine is sourced from PubChem (CID 174095107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).