N-butyl-2-methylprop-2-en-1-imine

C8H15N — CID 12755625

IUPACN-butyl-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/CCCC
InChIInChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h7H,2,4-6H2,1,3H3/b9-7+
InChIKeyGNEYKVHHGGSHQP-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-butyl-2-methylprop-2-en-1-imine

N-butyl-2-methylprop-2-en-1-imine (PubChem CID 12755625) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-en-1-imine
PubChem CID12755625
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-butyl-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/CCCC
InChIInChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h7H,2,4-6H2,1,3H3/b9-7+
InChIKeyGNEYKVHHGGSHQP-VQHVLOKHSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-butyl-2-methylprop-2-en-1-imine?
The IUPAC name of N-butyl-2-methylprop-2-en-1-imine (CID 12755625) is N-butyl-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-butyl-2-methylprop-2-en-1-imine?
The canonical SMILES for N-butyl-2-methylprop-2-en-1-imine is C=C(C)/C=N/CCCC.
What is the InChIKey of N-butyl-2-methylprop-2-en-1-imine?
The InChIKey is GNEYKVHHGGSHQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h7H,2,4-6H2,1,3H3/b9-7+.
What are the key properties of N-butyl-2-methylprop-2-en-1-imine?
N-butyl-2-methylprop-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-en-1-imine is sourced from PubChem (CID 12755625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).