1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine

C15H25N3O — CID 145496911

IUPAC1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
SMILESC=C(NC)NC1=CCCC(OCCN2CCCC2)=C1
InChIInChI=1S/C15H25N3O/c1-13(16-2)17-14-6-5-7-15(12-14)19-11-10-18-8-3-4-9-18/h6,12,16-17H,1,3-5,7-11H2,2H3
InChIKeyGGBPSJIPXAZZAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds7

About 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine

1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine (PubChem CID 145496911) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
PubChem CID145496911
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
SMILESC=C(NC)NC1=CCCC(OCCN2CCCC2)=C1
InChIInChI=1S/C15H25N3O/c1-13(16-2)17-14-6-5-7-15(12-14)19-11-10-18-8-3-4-9-18/h6,12,16-17H,1,3-5,7-11H2,2H3
InChIKeyGGBPSJIPXAZZAX-UHFFFAOYSA-N
XLogP1.94
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
CID 142207410
ethane;1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496910

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine (CID 145496911) is 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine is C=C(NC)NC1=CCCC(OCCN2CCCC2)=C1.
What is the InChIKey of 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The InChIKey is GGBPSJIPXAZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(16-2)17-14-6-5-7-15(12-14)19-11-10-18-8-3-4-9-18/h6,12,16-17H,1,3-5,7-11H2,2H3.
What are the key properties of 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine is sourced from PubChem (CID 145496911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).