2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine

C14H21N3 — CID 163735879

IUPAC2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine
SMILESCCC1=NCC(C)N=C(C2=CC=CCC2C)N1
InChIInChI=1S/C14H21N3/c1-4-13-15-9-11(3)16-14(17-13)12-8-6-5-7-10(12)2/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,15,16,17)
InChIKeyLDNQRIIHIRKSFC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine

2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine (PubChem CID 163735879) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine
PubChem CID163735879
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine
SMILESCCC1=NCC(C)N=C(C2=CC=CCC2C)N1
InChIInChI=1S/C14H21N3/c1-4-13-15-9-11(3)16-14(17-13)12-8-6-5-7-10(12)2/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,15,16,17)
InChIKeyLDNQRIIHIRKSFC-UHFFFAOYSA-N
XLogP2.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylidene-3-methylpentyl)-2,3-dihydropyridin-6-amine
CID 123649739
5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 123861376
N-[C-ethenyl-N-(2-methylbut-2-enyl)carbonimidoyl]-N'-methyl-4-(6-methylhepta-4,6-dien-2-yl)cyclohexa-1,4-diene-1-carboximidamide
CID 123916132
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
2-(4-Cyclohepta-1,6-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,4-dihydro-1,3,5-triazine
CID 137386413
N,7,7-trimethyl-3-(3-methylbut-1-en-2-yl)-1H-azepin-2-imine
CID 156714183
8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen
CID 157035296
(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine
CID 166650825
N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide
CID 170391200
N',3-dimethyl-N-[(E)-oct-4-en-3-yl]pentanimidamide
CID 173662507
(9aS)-N,N-diethyl-7,8,9,9a-tetrahydro-6H-pyrido[2,3-d]azepin-2-amine
CID 24959264

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine?
The IUPAC name of 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine (CID 163735879) is 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine.
What is the SMILES notation for 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine?
The canonical SMILES for 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine is CCC1=NCC(C)N=C(C2=CC=CCC2C)N1.
What is the InChIKey of 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine?
The InChIKey is LDNQRIIHIRKSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-13-15-9-11(3)16-14(17-13)12-8-6-5-7-10(12)2/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine?
2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine has a molecular weight of 231.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine is sourced from PubChem (CID 163735879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).