ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine

C14H27N3 — CID 178170713

IUPACethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
SMILESCC.[H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1
InChIInChI=1S/C12H21N3.C2H6/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13;1-2/h7,11,14H,3-6,8,13H2,1-2H3;1-2H3/b9-7-,14-12+;
InChIKeyMCVBCQHJOJMWKZ-BLSBZKRASA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds4

About ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine

ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine (PubChem CID 178170713) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine.

Molecular Properties

Compound Nameethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
PubChem CID178170713
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
SMILESCC.[H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1
InChIInChI=1S/C12H21N3.C2H6/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13;1-2/h7,11,14H,3-6,8,13H2,1-2H3;1-2H3/b9-7-,14-12+;
InChIKeyMCVBCQHJOJMWKZ-BLSBZKRASA-N
XLogP3.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
CID 144740190
3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole
CID 167237953
(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine
CID 170131383
Ethane;5-methyl-2-(3-methylpyrrolidin-1-yl)hexa-1,4-dien-3-imine
CID 177053620
(E)-3-(1-methylpyrrolidin-3-yl)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 178044420
5,5-Dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enylideneamine
CID 3757067
5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 10980132
(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine
CID 144740191
5-Methyl-2-(3-methylpyrrolidin-1-yl)hexa-1,4-dien-3-imine
CID 177053621
(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
CID 178170714

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The IUPAC name of ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine (CID 178170713) is ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine.
What is the SMILES notation for ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The canonical SMILES for ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine is CC.[H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1.
What is the InChIKey of ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The InChIKey is MCVBCQHJOJMWKZ-BLSBZKRASA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13;1-2/h7,11,14H,3-6,8,13H2,1-2H3;1-2H3/b9-7-,14-12+;.
What are the key properties of ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine is sourced from PubChem (CID 178170713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).