2-methyl-4-pyrrolidin-1-ylbutan-1-imine

C9H18N2 — CID 89149977

IUPAC2-methyl-4-pyrrolidin-1-ylbutan-1-imine
SMILES[H]/N=C/C(C)CCN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(8-10)4-7-11-5-2-3-6-11/h8-10H,2-7H2,1H3/b10-8+
InChIKeyTZCVHKOTSFZOFH-CSKARUKUSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-4-pyrrolidin-1-ylbutan-1-imine

2-methyl-4-pyrrolidin-1-ylbutan-1-imine (PubChem CID 89149977) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylbutan-1-imine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylbutan-1-imine
PubChem CID89149977
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-4-pyrrolidin-1-ylbutan-1-imine
SMILES[H]/N=C/C(C)CCN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(8-10)4-7-11-5-2-3-6-11/h8-10H,2-7H2,1H3/b10-8+
InChIKeyTZCVHKOTSFZOFH-CSKARUKUSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
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 2-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylbutan-1-imine (CID 89149977) is 2-methyl-4-pyrrolidin-1-ylbutan-1-imine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylbutan-1-imine is [H]/N=C/C(C)CCN1CCCC1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The InChIKey is TZCVHKOTSFZOFH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(8-10)4-7-11-5-2-3-6-11/h8-10H,2-7H2,1H3/b10-8+.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylbutan-1-imine?
2-methyl-4-pyrrolidin-1-ylbutan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-ylbutan-1-imine is sourced from PubChem (CID 89149977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).