1-(2-ethylpyrrolidin-1-yl)butan-1-imine

C10H20N2 — CID 63174065

IUPAC1-(2-ethylpyrrolidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCCC1CC
InChIInChI=1S/C10H20N2/c1-3-6-10(11)12-8-5-7-9(12)4-2/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyXTLRFJBGYNMHPK-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-ethylpyrrolidin-1-yl)butan-1-imine

1-(2-ethylpyrrolidin-1-yl)butan-1-imine (PubChem CID 63174065) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)butan-1-imine
PubChem CID63174065
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(2-ethylpyrrolidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCCC1CC
InChIInChI=1S/C10H20N2/c1-3-6-10(11)12-8-5-7-9(12)4-2/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyXTLRFJBGYNMHPK-ZHACJKMWSA-N
XLogP2.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
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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Related Compounds

1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
cyclohexyl-(2-ethylpiperidin-1-yl)methanimine
CID 63175453
1-(8-azabicyclo[3.2.1]octan-8-yl)butan-1-imine
CID 131091705
1-(2,5-dimethylmorpholin-4-yl)butan-1-imine
CID 63175906
1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine
CID 63181618
1-(2-propylpiperidin-1-yl)ethanimine
CID 83061487
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
1-butanimidoyl-N,N-dimethylpyrrolidin-3-amine
CID 63181326
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)butan-1-imine?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)butan-1-imine (CID 63174065) is 1-(2-ethylpyrrolidin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)butan-1-imine?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCCC1CC.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)butan-1-imine?
The InChIKey is XTLRFJBGYNMHPK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-6-10(11)12-8-5-7-9(12)4-2/h9,11H,3-8H2,1-2H3/b11-10+.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)butan-1-imine?
1-(2-ethylpyrrolidin-1-yl)butan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)butan-1-imine is sourced from PubChem (CID 63174065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).