ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine

C14H20N4 — CID 144594008

IUPACethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine
SMILESCC.Cc1ccc2c(c1)CNCc1[nH]c(N)nc1-2
InChIInChI=1S/C12H14N4.C2H6/c1-7-2-3-9-8(4-7)5-14-6-10-11(9)16-12(13)15-10;1-2/h2-4,14H,5-6H2,1H3,(H3,13,15,16);1-2H3
InChIKeyGDNCUPYDQYAMIK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.60
Rot. Bonds

About ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine

ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine (PubChem CID 144594008) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine.

Molecular Properties

Compound Nameethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine
PubChem CID144594008
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Nameethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine
SMILESCC.Cc1ccc2c(c1)CNCc1[nH]c(N)nc1-2
InChIInChI=1S/C12H14N4.C2H6/c1-7-2-3-9-8(4-7)5-14-6-10-11(9)16-12(13)15-10;1-2/h2-4,14H,5-6H2,1H3,(H3,13,15,16);1-2H3
InChIKeyGDNCUPYDQYAMIK-UHFFFAOYSA-N
XLogP2.60
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 143243946
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83850261
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
CID 82418938
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
2-amino-6-(2-bromo-4-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 83240894
3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine
CID 167503115
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylaniline
CID 65454715
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine?
The IUPAC name of ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine (CID 144594008) is ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine.
What is the SMILES notation for ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine?
The canonical SMILES for ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine is CC.Cc1ccc2c(c1)CNCc1[nH]c(N)nc1-2.
What is the InChIKey of ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine?
The InChIKey is GDNCUPYDQYAMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.C2H6/c1-7-2-3-9-8(4-7)5-14-6-10-11(9)16-12(13)15-10;1-2/h2-4,14H,5-6H2,1H3,(H3,13,15,16);1-2H3.
What are the key properties of ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine?
ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine is sourced from PubChem (CID 144594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).