ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine

C10H26N2 — CID 153352387

IUPACethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CCN(C)CCC(C)NC
InChIInChI=1S/C8H20N2.C2H6/c1-5-10(4)7-6-8(2)9-3;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyIBPKOMAQQDXGAF-UHFFFAOYSA-N
MW174.33 g/mol
LogP1.96
Rot. Bonds5

About ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine

ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 153352387) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID153352387
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Nameethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CCN(C)CCC(C)NC
InChIInChI=1S/C8H20N2.C2H6/c1-5-10(4)7-6-8(2)9-3;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyIBPKOMAQQDXGAF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-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-[methyl-[3-(methylamino)butyl]amino]ethanol
CID 167236855
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022
N-methylpentan-2-amine;hydrochloride
CID 42919600

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine (CID 153352387) is ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine is CC.CCN(C)CCC(C)NC.
What is the InChIKey of ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is IBPKOMAQQDXGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C2H6/c1-5-10(4)7-6-8(2)9-3;1-2/h8-9H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 174.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 153352387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).