4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine

C13H24N2 — CID 91367989

IUPAC4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
SMILESCCC(C)CC/C=N/C(C)=C1/CCNC1
InChIInChI=1S/C13H24N2/c1-4-11(2)6-5-8-15-12(3)13-7-9-14-10-13/h8,11,14H,4-7,9-10H2,1-3H3/b13-12-,15-8+
InChIKeyRONFRWNIAFJOFB-BYOXTMOQSA-N
MW208.35 g/mol
LogP3.15
Rot. Bonds5

About 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine

4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine (PubChem CID 91367989) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine.

Molecular Properties

Compound Name4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
PubChem CID91367989
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
SMILESCCC(C)CC/C=N/C(C)=C1/CCNC1
InChIInChI=1S/C13H24N2/c1-4-11(2)6-5-8-15-12(3)13-7-9-14-10-13/h8,11,14H,4-7,9-10H2,1-3H3/b13-12-,15-8+
InChIKeyRONFRWNIAFJOFB-BYOXTMOQSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.15
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

(1Z)-1-fluoro-3-methyl-1-[2-(methyliminomethyl)pyrrolidin-3-ylidene]pentan-2-amine
CID 163571398
N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine
CID 123550456
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
4-Methylimino-3-pyrrolidin-2-ylbut-2-en-2-amine
CID 147561473
4-methylimino-3-[(2S)-pyrrolidin-2-yl]but-2-en-2-amine
CID 147561476
(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
N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
CID 156551890
3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 159697912
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine
CID 153331310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine?
The IUPAC name of 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine (CID 91367989) is 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine.
What is the SMILES notation for 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine?
The canonical SMILES for 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine is CCC(C)CC/C=N/C(C)=C1/CCNC1.
What is the InChIKey of 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine?
The InChIKey is RONFRWNIAFJOFB-BYOXTMOQSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-11(2)6-5-8-15-12(3)13-7-9-14-10-13/h8,11,14H,4-7,9-10H2,1-3H3/b13-12-,15-8+.
What are the key properties of 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine?
4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine is sourced from PubChem (CID 91367989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).