N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine

C13H24N2 — CID 123550456

IUPACN-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine
SMILESC/C=N/C(CC(C)C(C)C)=C1/CCCN1
InChIInChI=1S/C13H24N2/c1-5-14-13(9-11(4)10(2)3)12-7-6-8-15-12/h5,10-11,15H,6-9H2,1-4H3/b13-12-,14-5+
InChIKeyRCFBIGSODDNILK-FEQCYUNNSA-N
MW208.35 g/mol
LogP3.35
Rot. Bonds4

About N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine

N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine (PubChem CID 123550456) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine
PubChem CID123550456
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine
SMILESC/C=N/C(CC(C)C(C)C)=C1/CCCN1
InChIInChI=1S/C13H24N2/c1-5-14-13(9-11(4)10(2)3)12-7-6-8-15-12/h5,10-11,15H,6-9H2,1-4H3/b13-12-,14-5+
InChIKeyRCFBIGSODDNILK-FEQCYUNNSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.35
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

(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
CID 7365221
(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 7365222
5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 69268090
4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
CID 91367989
N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine
CID 123695366
N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine
CID 123888553
2,5-Dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135279
ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
CID 143146396
(Z)-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine;molecular hydrogen
CID 153331070
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
CID 153331309
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
CID 7365224
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 7365225

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine?
The IUPAC name of N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine (CID 123550456) is N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine?
The canonical SMILES for N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine is C/C=N/C(CC(C)C(C)C)=C1/CCCN1.
What is the InChIKey of N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine?
The InChIKey is RCFBIGSODDNILK-FEQCYUNNSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-14-13(9-11(4)10(2)3)12-7-6-8-15-12/h5,10-11,15H,6-9H2,1-4H3/b13-12-,14-5+.
What are the key properties of N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine?
N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine has a molecular weight of 208.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine is sourced from PubChem (CID 123550456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).