ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C14H28N2 — CID 143416777

IUPACethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCC.CC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-2/h5,7H,6,8-10H2,1-4H3;1-2H3
InChIKeyOCXXFXWKWRFSLM-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.13
Rot. Bonds4

About ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 143416777) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID143416777
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCC.CC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-2/h5,7H,6,8-10H2,1-4H3;1-2H3
InChIKeyOCXXFXWKWRFSLM-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-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

2-(2,6-Dimethyl-1-pentylpyridin-4-ylidene)propanedinitrile
CID 2307977
N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057
1-(6-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 163511248
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 13804632
N-(dimethyloctadienyl)piperidine
CID 129763869
1-(Cyclopenten-1-yl)-4-methylpiperazine
CID 15363491
1,7-Ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
CID 20773083

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 143416777) is ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is CC.CC1=CC=C(N(C)CCN(C)C)CC1.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is OCXXFXWKWRFSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-2/h5,7H,6,8-10H2,1-4H3;1-2H3.
What are the key properties of ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 143416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).