2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine

C9H17N3 — CID 143794541

IUPAC2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1=CC(N(C)N)=C(N)CC1
InChIInChI=1S/C9H17N3/c1-3-7-4-5-8(10)9(6-7)12(2)11/h6H,3-5,10-11H2,1-2H3
InChIKeyOTZFPHGTRFPPKR-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.09
Rot. Bonds2

About 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine

2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine (PubChem CID 143794541) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine
PubChem CID143794541
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1=CC(N(C)N)=C(N)CC1
InChIInChI=1S/C9H17N3/c1-3-7-4-5-8(10)9(6-7)12(2)11/h6H,3-5,10-11H2,1-2H3
InChIKeyOTZFPHGTRFPPKR-UHFFFAOYSA-N
XLogP1.09
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine
CID 126628318
1,2-dimethyl-1-[(3E)-4-(4-methylcyclohexa-1,3-dien-1-yl)buta-1,3-dien-2-yl]hydrazine
CID 134288030
2-[Amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine;ethane
CID 143794540
ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole
CID 143794572
(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine
CID 167170111
6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine
CID 170451445
1-Methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hydrazine
CID 174354726
4-ethyl-2,6-dimethyl-3,5-dihydro-1H-indazol-5-ide;lanthanum
CID 177989167
2-(Cyclohexen-1-yl)-1,1-dimethylhydrazine
CID 10706566
6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole
CID 143794573
1-Methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)hydrazine
CID 144631883
1-(4-Ethenyl-3-methylidenehepta-1,4,6-trien-2-yl)-2-hepta-1,6-dien-2-yl-1-methylhydrazine
CID 153555565

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine (CID 143794541) is 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine is CCC1=CC(N(C)N)=C(N)CC1.
What is the InChIKey of 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine?
The InChIKey is OTZFPHGTRFPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-7-4-5-8(10)9(6-7)12(2)11/h6H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine?
2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143794541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).