N-(3-pyrrolidin-1-ylbutyl)ethanimine

C10H20N2 — CID 123254325

IUPACN-(3-pyrrolidin-1-ylbutyl)ethanimine
SMILESC/C=N/CCC(C)N1CCCC1
InChIInChI=1S/C10H20N2/c1-3-11-7-6-10(2)12-8-4-5-9-12/h3,10H,4-9H2,1-2H3/b11-3+
InChIKeyZMARLMQXZQBCOA-QDEBKDIKSA-N
MW168.28 g/mol
LogP1.95
Rot. Bonds4

About N-(3-pyrrolidin-1-ylbutyl)ethanimine

N-(3-pyrrolidin-1-ylbutyl)ethanimine (PubChem CID 123254325) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylbutyl)ethanimine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylbutyl)ethanimine
PubChem CID123254325
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(3-pyrrolidin-1-ylbutyl)ethanimine
SMILESC/C=N/CCC(C)N1CCCC1
InChIInChI=1S/C10H20N2/c1-3-11-7-6-10(2)12-8-4-5-9-12/h3,10H,4-9H2,1-2H3/b11-3+
InChIKeyZMARLMQXZQBCOA-QDEBKDIKSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
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 N-(3-pyrrolidin-1-ylbutyl)ethanimine?
The IUPAC name of N-(3-pyrrolidin-1-ylbutyl)ethanimine (CID 123254325) is N-(3-pyrrolidin-1-ylbutyl)ethanimine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylbutyl)ethanimine?
The canonical SMILES for N-(3-pyrrolidin-1-ylbutyl)ethanimine is C/C=N/CCC(C)N1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylbutyl)ethanimine?
The InChIKey is ZMARLMQXZQBCOA-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-11-7-6-10(2)12-8-4-5-9-12/h3,10H,4-9H2,1-2H3/b11-3+.
What are the key properties of N-(3-pyrrolidin-1-ylbutyl)ethanimine?
N-(3-pyrrolidin-1-ylbutyl)ethanimine has a molecular weight of 168.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylbutyl)ethanimine is sourced from PubChem (CID 123254325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).