4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine

C11H22N2 — CID 163688151

IUPAC4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine
SMILESCC(C)CC/N=C(\C=CN)C(C)C
InChIInChI=1S/C11H22N2/c1-9(2)6-8-13-11(5-7-12)10(3)4/h5,7,9-10H,6,8,12H2,1-4H3/b7-5?,13-11+
InChIKeyBXIDSUIMACTXSQ-VXGUIMQPSA-N
MW182.31 g/mol
LogP2.60
Rot. Bonds5

About 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine

4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine (PubChem CID 163688151) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine
PubChem CID163688151
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine
SMILESCC(C)CC/N=C(\C=CN)C(C)C
InChIInChI=1S/C11H22N2/c1-9(2)6-8-13-11(5-7-12)10(3)4/h5,7,9-10H,6,8,12H2,1-4H3/b7-5?,13-11+
InChIKeyBXIDSUIMACTXSQ-VXGUIMQPSA-N
XLogP2.60
TPSA38.38 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 ≤ 52.60
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-methyl-3-(3-methylbutylimino)pent-1-en-1-amine?
The IUPAC name of 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine (CID 163688151) is 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine.
What is the SMILES notation for 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine?
The canonical SMILES for 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine is CC(C)CC/N=C(\C=CN)C(C)C.
What is the InChIKey of 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine?
The InChIKey is BXIDSUIMACTXSQ-VXGUIMQPSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)6-8-13-11(5-7-12)10(3)4/h5,7,9-10H,6,8,12H2,1-4H3/b7-5?,13-11+.
What are the key properties of 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine?
4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbutylimino)pent-1-en-1-amine is sourced from PubChem (CID 163688151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).