1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine

C11H26N2 — CID 66455349

IUPAC1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(C)CC
InChIInChI=1S/C11H26N2/c1-7-12-10(3)11(4,5)9-13(6)8-2/h10,12H,7-9H2,1-6H3
InChIKeyKACKUOXMRVIQJS-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds6

About 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine

1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine (PubChem CID 66455349) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
PubChem CID66455349
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(C)CC
InChIInChI=1S/C11H26N2/c1-7-12-10(3)11(4,5)9-13(6)8-2/h10,12H,7-9H2,1-6H3
InChIKeyKACKUOXMRVIQJS-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N,2,2-trimethyl-1-N-(2-methylsulfonylethyl)butane-1,3-diamine
CID 79858101
1-N-cyclopentyl-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453189
4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol
CID 114953566
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452
3-N-ethyl-1-N,2,2-trimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66454941
1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453646
1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
CID 82952294
4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol
CID 66453390
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
CID 107204559
1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine (CID 66455349) is 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine is CCNC(C)C(C)(C)CN(C)CC.
What is the InChIKey of 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The InChIKey is KACKUOXMRVIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-12-10(3)11(4,5)9-13(6)8-2/h10,12H,7-9H2,1-6H3.
What are the key properties of 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine?
1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 66455349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).