ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine

C14H27N3 — CID 144521909

IUPACethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
SMILESCC.CCC1=CC(C)/C(NC)=C(NC)\N=C/C1
InChIInChI=1S/C12H21N3.C2H6/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10;1-2/h7-9,13-14H,5-6H2,1-4H3;1-2H3/b10-8?,12-11+,15-7-;
InChIKeyQDGCXCLGMPAZHY-GGOUBJGQSA-N
MW237.39 g/mol
LogP3.07
Rot. Bonds3

About ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine

ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine (PubChem CID 144521909) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine.

Molecular Properties

Compound Nameethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
PubChem CID144521909
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
SMILESCC.CCC1=CC(C)/C(NC)=C(NC)\N=C/C1
InChIInChI=1S/C12H21N3.C2H6/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10;1-2/h7-9,13-14H,5-6H2,1-4H3;1-2H3/b10-8?,12-11+,15-7-;
InChIKeyQDGCXCLGMPAZHY-GGOUBJGQSA-N
XLogP3.07
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 173754075
N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine
CID 174273168
(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
CID 144521910

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The IUPAC name of ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine (CID 144521909) is ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine.
What is the SMILES notation for ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The canonical SMILES for ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine is CC.CCC1=CC(C)/C(NC)=C(NC)\N=C/C1.
What is the InChIKey of ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The InChIKey is QDGCXCLGMPAZHY-GGOUBJGQSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10;1-2/h7-9,13-14H,5-6H2,1-4H3;1-2H3/b10-8?,12-11+,15-7-;.
What are the key properties of ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine has a molecular weight of 237.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine is sourced from PubChem (CID 144521909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).