3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine

C18H31N3 — CID 134525464

IUPAC3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine
SMILESC=C/C(=N\C(=C)C)C(CC)CCNC(=C)C1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-7-16(18(8-2)20-14(3)4)9-11-19-15(5)17-10-12-21(6)13-17/h8,16-17,19H,2-3,5,7,9-13H2,1,4,6H3/b20-18+
InChIKeyLIVDAPRKTJIGBK-CZIZESTLSA-N
MW289.47 g/mol
LogP3.62
Rot. Bonds9

About 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine

3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine (PubChem CID 134525464) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine
PubChem CID134525464
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine
SMILESC=C/C(=N\C(=C)C)C(CC)CCNC(=C)C1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-7-16(18(8-2)20-14(3)4)9-11-19-15(5)17-10-12-21(6)13-17/h8,16-17,19H,2-3,5,7,9-13H2,1,4,6H3/b20-18+
InChIKeyLIVDAPRKTJIGBK-CZIZESTLSA-N
XLogP3.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine (CID 134525464) is 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine is C=C/C(=N\C(=C)C)C(CC)CCNC(=C)C1CCN(C)C1.
What is the InChIKey of 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine?
The InChIKey is LIVDAPRKTJIGBK-CZIZESTLSA-N. The full InChI is InChI=1S/C18H31N3/c1-7-16(18(8-2)20-14(3)4)9-11-19-15(5)17-10-12-21(6)13-17/h8,16-17,19H,2-3,5,7,9-13H2,1,4,6H3/b20-18+.
What are the key properties of 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine?
3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine is sourced from PubChem (CID 134525464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).