N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine

C9H18N2 — CID 523931

IUPACN-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)C/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2)7-10-8-11-5-3-4-6-11/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeySZGVPYOGLFKMRC-CSKARUKUSA-N
MW154.26 g/mol
LogP1.77
Rot. Bonds3

About N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine

N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine (PubChem CID 523931) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine
PubChem CID523931
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)C/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2)7-10-8-11-5-3-4-6-11/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeySZGVPYOGLFKMRC-CSKARUKUSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine (CID 523931) is N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine is CC(C)C/N=C/N1CCCC1.
What is the InChIKey of N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine?
The InChIKey is SZGVPYOGLFKMRC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)7-10-8-11-5-3-4-6-11/h8-9H,3-7H2,1-2H3/b10-8+.
What are the key properties of N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine?
N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine has a molecular weight of 154.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).