N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide

C13H20N4 — CID 142229617

IUPACN,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
SMILESCC1=CCC=CC=C1/N=C(N)/N=C(\C)N(C)C
InChIInChI=1S/C13H20N4/c1-10-8-6-5-7-9-12(10)16-13(14)15-11(2)17(3)4/h5,7-9H,6H2,1-4H3,(H2,14,16)/b15-11+
InChIKeyMUZVPOGXWBNNTM-RVDMUPIBSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds1

About N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide

N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide (PubChem CID 142229617) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
PubChem CID142229617
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
SMILESCC1=CCC=CC=C1/N=C(N)/N=C(\C)N(C)C
InChIInChI=1S/C13H20N4/c1-10-8-6-5-7-9-12(10)16-13(14)15-11(2)17(3)4/h5,7-9H,6H2,1-4H3,(H2,14,16)/b15-11+
InChIKeyMUZVPOGXWBNNTM-RVDMUPIBSA-N
XLogP2.07
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
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

4-(7-methylcyclohepta-1,4,6-trien-1-yl)butan-2-amine
CID 123251097
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 142918520
ethane;1-methoxy-2-methylpropane;2-methyl-3-propan-2-ylcyclohepta-1,3,5-triene
CID 143413618
ethane;(7-methylcyclohepta-1,3,6-trien-1-yl) (Z)-but-2-enoate
CID 142062038
7-[amino(methyl)amino]cyclohepta-1,3,6-trien-1-amine
CID 89146882
cyclohepta-1,3,6-triene-1-carboxamide;ethane
CID 143923802
diethyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809592
N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide
CID 59495611
3-methyl-1,7-dihydrocyclohepta[c]pyrrole
CID 143453289
cyclohepta-1,3,6-triene-1-carboxamide
CID 53421645
N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide
CID 20745755

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide (CID 142229617) is N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide is CC1=CCC=CC=C1/N=C(N)/N=C(\C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide?
The InChIKey is MUZVPOGXWBNNTM-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-8-6-5-7-9-12(10)16-13(14)15-11(2)17(3)4/h5,7-9H,6H2,1-4H3,(H2,14,16)/b15-11+.
What are the key properties of N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide?
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide has a molecular weight of 232.33 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide is sourced from PubChem (CID 142229617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).