ethane;2-methanimidoylcyclohexen-1-amine

C9H18N2 — CID 142160083

IUPACethane;2-methanimidoylcyclohexen-1-amine
SMILESCC.[H]/N=C/C1=C(N)CCCC1
InChIInChI=1S/C7H12N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h5,8H,1-4,9H2;1-2H3/b8-5+;
InChIKeyIBPKDJJEOJXIEI-HAAWTFQLSA-N
MW154.26 g/mol
LogP2.45
Rot. Bonds1

About ethane;2-methanimidoylcyclohexen-1-amine

ethane;2-methanimidoylcyclohexen-1-amine (PubChem CID 142160083) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;2-methanimidoylcyclohexen-1-amine.

Molecular Properties

Compound Nameethane;2-methanimidoylcyclohexen-1-amine
PubChem CID142160083
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;2-methanimidoylcyclohexen-1-amine
SMILESCC.[H]/N=C/C1=C(N)CCCC1
InChIInChI=1S/C7H12N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h5,8H,1-4,9H2;1-2H3/b8-5+;
InChIKeyIBPKDJJEOJXIEI-HAAWTFQLSA-N
XLogP2.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-methanimidoylcyclohexen-1-amine 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

2-methanimidoylcyclohepten-1-amine
CID 126605800
3-amino-2-methanimidoylcyclohex-2-en-1-ol
CID 143567997
2-(ethyliminomethyl)cyclohexen-1-amine
CID 89395306
ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
CID 142128352
methyl 3-(4-amino-3-methanimidoylcyclohex-3-en-1-yl)-3-oxopropanoate
CID 146250554
(1Z)-cyclodecene-1,2-diamine
CID 89062858
2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
CID 142514478
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
tert-butyl (2S)-4-amino-5-methanimidoyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170016264
tert-butyl 5-amino-4-methanimidoyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170016245
2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol
CID 89395303

Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoylcyclohexen-1-amine?
The IUPAC name of ethane;2-methanimidoylcyclohexen-1-amine (CID 142160083) is ethane;2-methanimidoylcyclohexen-1-amine.
What is the SMILES notation for ethane;2-methanimidoylcyclohexen-1-amine?
The canonical SMILES for ethane;2-methanimidoylcyclohexen-1-amine is CC.[H]/N=C/C1=C(N)CCCC1.
What is the InChIKey of ethane;2-methanimidoylcyclohexen-1-amine?
The InChIKey is IBPKDJJEOJXIEI-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h5,8H,1-4,9H2;1-2H3/b8-5+;.
What are the key properties of ethane;2-methanimidoylcyclohexen-1-amine?
ethane;2-methanimidoylcyclohexen-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoylcyclohexen-1-amine is sourced from PubChem (CID 142160083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).