N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide

C16H22N2 — CID 146614260

IUPACN-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\C1=CC=CC1)N(C)CCC1=C(C)C=CCC1
InChIInChI=1S/C16H22N2/c1-13-7-3-4-8-14(13)11-12-18(2)16(17)15-9-5-6-10-15/h3,5-7,9,17H,4,8,10-12H2,1-2H3/b17-16+
InChIKeyVIRNWDOYOGDHDZ-WUKNDPDISA-N
MW242.37 g/mol
LogP3.84
Rot. Bonds4

About N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide

N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide (PubChem CID 146614260) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
PubChem CID146614260
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\C1=CC=CC1)N(C)CCC1=C(C)C=CCC1
InChIInChI=1S/C16H22N2/c1-13-7-3-4-8-14(13)11-12-18(2)16(17)15-9-5-6-10-15/h3,5-7,9,17H,4,8,10-12H2,1-2H3/b17-16+
InChIKeyVIRNWDOYOGDHDZ-WUKNDPDISA-N
XLogP3.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.84
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

CID 142082960
CID 142082960
CID 142083480
CID 142083480
CID 123909804
CID 123909804
CID 141997071
CID 141997071
CID 142132141
CID 142132141
CID 142132142
CID 142132142
CID 144492340
CID 144492340
CID 146614528
CID 146614528
CID 146619028
CID 146619028
CID 164169548
CID 164169548
CID 173151829
CID 173151829
CID 177982841
CID 177982841

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide?
The IUPAC name of N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide (CID 146614260) is N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide?
The canonical SMILES for N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide is [H]/N=C(\C1=CC=CC1)N(C)CCC1=C(C)C=CCC1.
What is the InChIKey of N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide?
The InChIKey is VIRNWDOYOGDHDZ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H22N2/c1-13-7-3-4-8-14(13)11-12-18(2)16(17)15-9-5-6-10-15/h3,5-7,9,17H,4,8,10-12H2,1-2H3/b17-16+.
What are the key properties of N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide?
N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide is sourced from PubChem (CID 146614260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).