4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine

C16H32N2 — CID 71352712

IUPAC4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\CCCC/N=C(\C)CC(C)C
InChIInChI=1S/C16H32N2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3/b17-15+,18-16+
InChIKeyBCCHSHBPSOMHPT-YTEMWHBBSA-N
MW252.45 g/mol
LogP4.78
Rot. Bonds9

About 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine

4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine (PubChem CID 71352712) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
PubChem CID71352712
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\CCCC/N=C(\C)CC(C)C
InChIInChI=1S/C16H32N2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3/b17-15+,18-16+
InChIKeyBCCHSHBPSOMHPT-YTEMWHBBSA-N
XLogP4.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine (CID 71352712) is 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine is C/C(CC(C)C)=N\CCCC/N=C(\C)CC(C)C.
What is the InChIKey of 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine?
The InChIKey is BCCHSHBPSOMHPT-YTEMWHBBSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3/b17-15+,18-16+.
What are the key properties of 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine?
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine has a molecular weight of 252.45 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine is sourced from PubChem (CID 71352712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).