N-propyl-1-pyrrolidin-1-ylmethanimine

C8H16N2 — CID 523935

IUPACN-propyl-1-pyrrolidin-1-ylmethanimine
SMILESCCC/N=C/N1CCCC1
InChIInChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h8H,2-7H2,1H3/b9-8+
InChIKeyWOCAFVVMJBXVPZ-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds3

About N-propyl-1-pyrrolidin-1-ylmethanimine

N-propyl-1-pyrrolidin-1-ylmethanimine (PubChem CID 523935) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-propyl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-propyl-1-pyrrolidin-1-ylmethanimine
PubChem CID523935
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-propyl-1-pyrrolidin-1-ylmethanimine
SMILESCCC/N=C/N1CCCC1
InChIInChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h8H,2-7H2,1H3/b9-8+
InChIKeyWOCAFVVMJBXVPZ-CMDGGOBGSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
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-propyl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-propyl-1-pyrrolidin-1-ylmethanimine (CID 523935) is N-propyl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-propyl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-propyl-1-pyrrolidin-1-ylmethanimine is CCC/N=C/N1CCCC1.
What is the InChIKey of N-propyl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is WOCAFVVMJBXVPZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h8H,2-7H2,1H3/b9-8+.
What are the key properties of N-propyl-1-pyrrolidin-1-ylmethanimine?
N-propyl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 140.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).