2-ethyl-N,N',2-trimethylbutane-1,4-diamine

C9H22N2 — CID 148591488

IUPAC2-ethyl-N,N',2-trimethylbutane-1,4-diamine
SMILESCCC(C)(CCNC)CNC
InChIInChI=1S/C9H22N2/c1-5-9(2,8-11-4)6-7-10-3/h10-11H,5-8H2,1-4H3
InChIKeyNASMVJXDMQMABS-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.23
Rot. Bonds6

About 2-ethyl-N,N',2-trimethylbutane-1,4-diamine

2-ethyl-N,N',2-trimethylbutane-1,4-diamine (PubChem CID 148591488) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-ethyl-N,N',2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N,N',2-trimethylbutane-1,4-diamine
PubChem CID148591488
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-ethyl-N,N',2-trimethylbutane-1,4-diamine
SMILESCCC(C)(CCNC)CNC
InChIInChI=1S/C9H22N2/c1-5-9(2,8-11-4)6-7-10-3/h10-11H,5-8H2,1-4H3
InChIKeyNASMVJXDMQMABS-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
CID 130640163
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
CID 104566582
4-ethyl-N,4-dimethylhexan-1-amine
CID 123387563
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N',2-trimethylbutane-1,4-diamine?
The IUPAC name of 2-ethyl-N,N',2-trimethylbutane-1,4-diamine (CID 148591488) is 2-ethyl-N,N',2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N,N',2-trimethylbutane-1,4-diamine?
The canonical SMILES for 2-ethyl-N,N',2-trimethylbutane-1,4-diamine is CCC(C)(CCNC)CNC.
What is the InChIKey of 2-ethyl-N,N',2-trimethylbutane-1,4-diamine?
The InChIKey is NASMVJXDMQMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-9(2,8-11-4)6-7-10-3/h10-11H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N,N',2-trimethylbutane-1,4-diamine?
2-ethyl-N,N',2-trimethylbutane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N',2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 148591488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).