2-pyrrolidin-1-yloct-1-en-3-imine

C12H22N2 — CID 142437809

IUPAC2-pyrrolidin-1-yloct-1-en-3-imine
SMILES[H]/N=C(\CCCCC)C(=C)N1CCCC1
InChIInChI=1S/C12H22N2/c1-3-4-5-8-12(13)11(2)14-9-6-7-10-14/h13H,2-10H2,1H3/b13-12+
InChIKeyDCKWZHNDECTCDH-OUKQBFOZSA-N
MW194.32 g/mol
LogP3.20
Rot. Bonds6

About 2-pyrrolidin-1-yloct-1-en-3-imine

2-pyrrolidin-1-yloct-1-en-3-imine (PubChem CID 142437809) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yloct-1-en-3-imine.

Molecular Properties

Compound Name2-pyrrolidin-1-yloct-1-en-3-imine
PubChem CID142437809
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-pyrrolidin-1-yloct-1-en-3-imine
SMILES[H]/N=C(\CCCCC)C(=C)N1CCCC1
InChIInChI=1S/C12H22N2/c1-3-4-5-8-12(13)11(2)14-9-6-7-10-14/h13H,2-10H2,1H3/b13-12+
InChIKeyDCKWZHNDECTCDH-OUKQBFOZSA-N
XLogP3.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hex-1-en-2-ylpyrrolidine
CID 18511208
3-methylidene-11-piperidin-1-ylundecan-4-imine
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1-cyclopentylhexan-1-imine
CID 91136727
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-piperidin-1-yloctane-1-thione
CID 45118754
CID 161078070
CID 161078070
1,14-di(piperidin-1-yl)tetradecane-1,14-diimine
CID 24740523
butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate
CID 176546412
1-pyrrolidin-1-yloctadec-11-yn-1-one
CID 574709
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
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2-iminohexanoic acid
CID 54447751

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yloct-1-en-3-imine?
The IUPAC name of 2-pyrrolidin-1-yloct-1-en-3-imine (CID 142437809) is 2-pyrrolidin-1-yloct-1-en-3-imine.
What is the SMILES notation for 2-pyrrolidin-1-yloct-1-en-3-imine?
The canonical SMILES for 2-pyrrolidin-1-yloct-1-en-3-imine is [H]/N=C(\CCCCC)C(=C)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yloct-1-en-3-imine?
The InChIKey is DCKWZHNDECTCDH-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-8-12(13)11(2)14-9-6-7-10-14/h13H,2-10H2,1H3/b13-12+.
What are the key properties of 2-pyrrolidin-1-yloct-1-en-3-imine?
2-pyrrolidin-1-yloct-1-en-3-imine has a molecular weight of 194.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yloct-1-en-3-imine is sourced from PubChem (CID 142437809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).