(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine

C14H24N2 — CID 157028512

IUPAC(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
SMILESC=C/C(C)=C\C(CCCN1CCCC1)=N/C
InChIInChI=1S/C14H24N2/c1-4-13(2)12-14(15-3)8-7-11-16-9-5-6-10-16/h4,12H,1,5-11H2,2-3H3/b13-12-,15-14-
InChIKeyGHLFEWSRJDNZOY-ZJQKOVPWSA-N
MW220.36 g/mol
LogP3.07
Rot. Bonds6

About (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine

(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine (PubChem CID 157028512) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
PubChem CID157028512
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
SMILESC=C/C(C)=C\C(CCCN1CCCC1)=N/C
InChIInChI=1S/C14H24N2/c1-4-13(2)12-14(15-3)8-7-11-16-9-5-6-10-16/h4,12H,1,5-11H2,2-3H3/b13-12-,15-14-
InChIKeyGHLFEWSRJDNZOY-ZJQKOVPWSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59085214
CID 59085214
(2E)-1-methyl-2-[(2E)-2-[2-methyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
CID 59933547
(2E)-1-methyl-2-[(2E,6E)-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)hepta-2,4,6-trienylidene]pyrrolidine;yttrium
CID 60103288
(2Z)-1-methyl-2-[(2E,4E,6Z)-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)hepta-2,4,6-trienylidene]pyrrolidine
CID 89564508
(2Z,4E)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]hexa-2,4-dien-1-imine
CID 89839679
3-Methyl-2-(4-pyrrolidin-1-ylbut-1-enyl)-4,5-dihydro-1-benzazocine
CID 90843689
(3Z,5E)-5-(pyrrolidin-1-ylmethyl)hepta-3,5-dien-2-imine
CID 117718962
N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
CID 123264969
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
CID 123685297
(3E)-3-[(1,2-dimethylpyrrolidin-2-yl)methylidene]-4-methylpent-4-en-2-imine
CID 130242730
N-[2-[[(6Z)-6-[(E)-but-2-enylidene]-4-methylcyclohexa-2,4-dien-1-ylidene]amino]ethyl]-N-ethyl-4-methylpent-4-en-1-amine
CID 137417400

Frequently Asked Questions

What is the IUPAC name of (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine?
The IUPAC name of (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine (CID 157028512) is (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine?
The canonical SMILES for (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine is C=C/C(C)=C\C(CCCN1CCCC1)=N/C.
What is the InChIKey of (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine?
The InChIKey is GHLFEWSRJDNZOY-ZJQKOVPWSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-13(2)12-14(15-3)8-7-11-16-9-5-6-10-16/h4,12H,1,5-11H2,2-3H3/b13-12-,15-14-.
What are the key properties of (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine?
(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine has a molecular weight of 220.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine is sourced from PubChem (CID 157028512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).