2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine

C19H28N4 — CID 142228503

IUPAC2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
SMILESCC(C)/N=C1\N/C(=N\CC2CCCCC2)NC2C=CC=CC=C12
InChIInChI=1S/C19H28N4/c1-14(2)21-18-16-11-7-4-8-12-17(16)22-19(23-18)20-13-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyGJOZIVPCJKECGU-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.34
Rot. Bonds3

About 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine

2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine (PubChem CID 142228503) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
PubChem CID142228503
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
SMILESCC(C)/N=C1\N/C(=N\CC2CCCCC2)NC2C=CC=CC=C12
InChIInChI=1S/C19H28N4/c1-14(2)21-18-16-11-7-4-8-12-17(16)22-19(23-18)20-13-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyGJOZIVPCJKECGU-UHFFFAOYSA-N
XLogP3.34
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine with MolForge

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Related Compounds

(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
3-N-(cyclohexylmethyl)-5-N-methyl-2,4-diazabicyclo[5.5.0]dodeca-7,9,11-triene-3,5-diimine
CID 142228836
3-(Cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
CID 142229283
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230577
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230849
4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230886
2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142231142
(5E)-2-N-(cyclohexylmethyl)-5-[(3Z)-hexa-3,5-dienylidene]-6-N,6-N-dimethyl-4H-pyrimidine-2,6-diamine
CID 142231335
(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine
CID 142231416

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine (CID 142228503) is 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine is CC(C)/N=C1\N/C(=N\CC2CCCCC2)NC2C=CC=CC=C12.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine?
The InChIKey is GJOZIVPCJKECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-14(2)21-18-16-11-7-4-8-12-17(16)22-19(23-18)20-13-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine?
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine has a molecular weight of 312.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine is sourced from PubChem (CID 142228503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).