(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine

C19H30N4 — CID 142230397

IUPAC(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
SMILESCN(C)C1=N/C(=N\CC2CCCCC2)NC2CC/C=C\C/C=C/12
InChIInChI=1S/C19H30N4/c1-23(2)18-16-12-8-3-4-9-13-17(16)21-19(22-18)20-14-15-10-6-5-7-11-15/h3-4,12,15,17H,5-11,13-14H2,1-2H3,(H,20,21)/b4-3-,16-12+
InChIKeyGVOHVXOIDFEMPI-RDYGQBFWSA-N
MW314.48 g/mol
LogP3.52
Rot. Bonds2

About (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine

(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine (PubChem CID 142230397) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
PubChem CID142230397
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
SMILESCN(C)C1=N/C(=N\CC2CCCCC2)NC2CC/C=C\C/C=C/12
InChIInChI=1S/C19H30N4/c1-23(2)18-16-12-8-3-4-9-13-17(16)21-19(22-18)20-14-15-10-6-5-7-11-15/h3-4,12,15,17H,5-11,13-14H2,1-2H3,(H,20,21)/b4-3-,16-12+
InChIKeyGVOHVXOIDFEMPI-RDYGQBFWSA-N
XLogP3.52
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine with MolForge

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Related Compounds

(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
CID 163694350
3-amino-N-(3-aminopropyl)-N'-[[(4-octylcyclohex-2-en-1-yl)amino]methyl]propanimidamide
CID 173889752
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
3-(Cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
CID 142229283
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
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774
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

Frequently Asked Questions

What is the IUPAC name of (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine?
The IUPAC name of (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine (CID 142230397) is (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine.
What is the SMILES notation for (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine?
The canonical SMILES for (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine is CN(C)C1=N/C(=N\CC2CCCCC2)NC2CC/C=C\C/C=C/12.
What is the InChIKey of (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine?
The InChIKey is GVOHVXOIDFEMPI-RDYGQBFWSA-N. The full InChI is InChI=1S/C19H30N4/c1-23(2)18-16-12-8-3-4-9-13-17(16)21-19(22-18)20-14-15-10-6-5-7-11-15/h3-4,12,15,17H,5-11,13-14H2,1-2H3,(H,20,21)/b4-3-,16-12+.
What are the key properties of (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine?
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine has a molecular weight of 314.48 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine is sourced from PubChem (CID 142230397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).