1-(3-methylbutyl)pyrrolidin-3-imine

C9H18N2 — CID 57218168

IUPAC1-(3-methylbutyl)pyrrolidin-3-imine
SMILES[H]/N=C1\CCN(CCC(C)C)C1
InChIInChI=1S/C9H18N2/c1-8(2)3-5-11-6-4-9(10)7-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyAGFNBGPHUHTPRV-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds3

About 1-(3-methylbutyl)pyrrolidin-3-imine

1-(3-methylbutyl)pyrrolidin-3-imine (PubChem CID 57218168) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3-methylbutyl)pyrrolidin-3-imine.

Molecular Properties

Compound Name1-(3-methylbutyl)pyrrolidin-3-imine
PubChem CID57218168
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3-methylbutyl)pyrrolidin-3-imine
SMILES[H]/N=C1\CCN(CCC(C)C)C1
InChIInChI=1S/C9H18N2/c1-8(2)3-5-11-6-4-9(10)7-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyAGFNBGPHUHTPRV-MDZDMXLPSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-Fluoro-1-(3-methylbutyl)pyrrolidin-3-imine
CID 57053356
(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine
CID 162594716
1-Methylpyrrolidin-3-imine
CID 57293237
1-Methyl-5-propan-2-ylpyrrolidin-3-imine
CID 68236101
4-Methylpyrrolidin-3-imine
CID 70149418
(2S)-N-ethyl-4-imino-N,2-dimethylpentan-1-amine
CID 88275980
1-(3-Ethyl-1-methylpyrrolidin-2-yl)ethanimine
CID 88562927
(2S)-2-methyl-4-pyrrolidin-1-ylbutan-1-imine
CID 89111956
2-Methyl-4-pyrrolidin-1-ylbutan-1-imine
CID 89149977
(1-Methyl-4-methyliminopyrrolidin-3-yl)methanamine
CID 91278205
1,4,4-Trimethylpyrrolidin-3-imine
CID 123273210
1-(1-Propylazetidin-3-yl)ethanimine
CID 123452257

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)pyrrolidin-3-imine?
The IUPAC name of 1-(3-methylbutyl)pyrrolidin-3-imine (CID 57218168) is 1-(3-methylbutyl)pyrrolidin-3-imine.
What is the SMILES notation for 1-(3-methylbutyl)pyrrolidin-3-imine?
The canonical SMILES for 1-(3-methylbutyl)pyrrolidin-3-imine is [H]/N=C1\CCN(CCC(C)C)C1.
What is the InChIKey of 1-(3-methylbutyl)pyrrolidin-3-imine?
The InChIKey is AGFNBGPHUHTPRV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)3-5-11-6-4-9(10)7-11/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 1-(3-methylbutyl)pyrrolidin-3-imine?
1-(3-methylbutyl)pyrrolidin-3-imine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)pyrrolidin-3-imine is sourced from PubChem (CID 57218168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).