ethane;5-methylcyclohexa-1,5-dien-1-amine

C9H17N — CID 144692983

IUPACethane;5-methylcyclohexa-1,5-dien-1-amine
SMILESCC.CC1=CC(N)=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h4-5H,2-3,8H2,1H3;1-2H3
InChIKeyDDBROSWWXZGSQK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.60
Rot. Bonds

About ethane;5-methylcyclohexa-1,5-dien-1-amine

ethane;5-methylcyclohexa-1,5-dien-1-amine (PubChem CID 144692983) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;5-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;5-methylcyclohexa-1,5-dien-1-amine
PubChem CID144692983
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;5-methylcyclohexa-1,5-dien-1-amine
SMILESCC.CC1=CC(N)=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h4-5H,2-3,8H2,1H3;1-2H3
InChIKeyDDBROSWWXZGSQK-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;5-methylcyclohexa-1,5-dien-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

ethane;1-methylcyclobutene
CID 91484029
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
1-methylcyclobutene;sulfane
CID 90109296
3-ethyl-1-methylcyclohexa-1,3-diene
CID 91479514
7-methyl-2,3-dihydrooxepin-5-amine
CID 177191938
5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 14219118
ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide
CID 170725421
5-(aminomethyl)cyclohexa-1,5-dien-1-amine
CID 89240417
ethane;1-methyl-4-(5-methylcyclohexa-1,5-dien-1-yl)sulfanylbenzene
CID 142305547
5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol
CID 142554767

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;5-methylcyclohexa-1,5-dien-1-amine (CID 144692983) is ethane;5-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;5-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;5-methylcyclohexa-1,5-dien-1-amine is CC.CC1=CC(N)=CCC1.
What is the InChIKey of ethane;5-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is DDBROSWWXZGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h4-5H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;5-methylcyclohexa-1,5-dien-1-amine?
ethane;5-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144692983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).