2-methyl-N-(3-methylbutyl)propan-1-imine

C9H19N — CID 90438111

IUPAC2-methyl-N-(3-methylbutyl)propan-1-imine
SMILESCC(C)/C=N/CCC(C)C
InChIInChI=1S/C9H19N/c1-8(2)5-6-10-7-9(3)4/h7-9H,5-6H2,1-4H3/b10-7+
InChIKeyKBEGJEDUYIIXLF-JXMROGBWSA-N
MW141.26 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-N-(3-methylbutyl)propan-1-imine

2-methyl-N-(3-methylbutyl)propan-1-imine (PubChem CID 90438111) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)propan-1-imine
PubChem CID90438111
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-methyl-N-(3-methylbutyl)propan-1-imine
SMILESCC(C)/C=N/CCC(C)C
InChIInChI=1S/C9H19N/c1-8(2)5-6-10-7-9(3)4/h7-9H,5-6H2,1-4H3/b10-7+
InChIKeyKBEGJEDUYIIXLF-JXMROGBWSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-N-(3-methylbutyl)propan-1-imine?
The IUPAC name of 2-methyl-N-(3-methylbutyl)propan-1-imine (CID 90438111) is 2-methyl-N-(3-methylbutyl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)propan-1-imine is CC(C)/C=N/CCC(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)propan-1-imine?
The InChIKey is KBEGJEDUYIIXLF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)5-6-10-7-9(3)4/h7-9H,5-6H2,1-4H3/b10-7+.
What are the key properties of 2-methyl-N-(3-methylbutyl)propan-1-imine?
2-methyl-N-(3-methylbutyl)propan-1-imine has a molecular weight of 141.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)propan-1-imine is sourced from PubChem (CID 90438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).