N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide

C11H12N2 — CID 164793033

IUPACN,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
SMILESC1=CCC(/N=C/NC2=CC=CC2)=C1
InChIInChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13)
InChIKeyOIKQJHNFLJQKGE-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.29
Rot. Bonds3

About N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide

N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide (PubChem CID 164793033) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
PubChem CID164793033
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
SMILESC1=CCC(/N=C/NC2=CC=CC2)=C1
InChIInChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13)
InChIKeyOIKQJHNFLJQKGE-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4-Diazabicyclo[3.2.1]octa-1(7),2,5-triene
CID 68806408
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
10-methylidene-4,5-dihydro-1H-1,3-diazecine
CID 123465078
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
1,3a-Dihydrocyclopenta[d]imidazole
CID 134240726
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160
N'-butan-2-yl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 135243193
N'-methyl-N-[(Z)-pent-2-en-3-yl]methanimidamide
CID 137447718
6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 137483320

Frequently Asked Questions

What is the IUPAC name of N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide?
The IUPAC name of N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide (CID 164793033) is N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide.
What is the SMILES notation for N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide?
The canonical SMILES for N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide is C1=CCC(/N=C/NC2=CC=CC2)=C1.
What is the InChIKey of N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide?
The InChIKey is OIKQJHNFLJQKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13).
What are the key properties of N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide?
N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide has a molecular weight of 172.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide is sourced from PubChem (CID 164793033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).