3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine

C9H22N2 — CID 143118699

IUPAC3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
SMILESCCN(C)C(C)(C)CCNC
InChIInChI=1S/C9H22N2/c1-6-11(5)9(2,3)7-8-10-4/h10H,6-8H2,1-5H3
InChIKeySOBODVIDQVIWOT-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds5

About 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine

3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine (PubChem CID 143118699) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
PubChem CID143118699
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
SMILESCCN(C)C(C)(C)CCNC
InChIInChI=1S/C9H22N2/c1-6-11(5)9(2,3)7-8-10-4/h10H,6-8H2,1-5H3
InChIKeySOBODVIDQVIWOT-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249
N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195
N-ethyl-N,N',3,3-tetramethylpentane-1,5-diamine;molecular hydrogen
CID 170741691
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
3-N-methylpropane-1,1,1,3-tetramine
CID 174312899

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine (CID 143118699) is 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine is CCN(C)C(C)(C)CCNC.
What is the InChIKey of 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The InChIKey is SOBODVIDQVIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-11(5)9(2,3)7-8-10-4/h10H,6-8H2,1-5H3.
What are the key properties of 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 143118699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).