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

C9H22N2 — CID 65246754

IUPACN'-ethyl-N',2,2-trimethylbutane-1,4-diamine
SMILESCCN(C)CCC(C)(C)CN
InChIInChI=1S/C9H22N2/c1-5-11(4)7-6-9(2,3)8-10/h5-8,10H2,1-4H3
InChIKeyFDMCOYUPNVKKGU-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds5

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

N'-ethyl-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 65246754) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-ethyl-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N',2,2-trimethylbutane-1,4-diamine
PubChem CID65246754
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-ethyl-N',2,2-trimethylbutane-1,4-diamine
SMILESCCN(C)CCC(C)(C)CN
InChIInChI=1S/C9H22N2/c1-5-11(4)7-6-9(2,3)8-10/h5-8,10H2,1-4H3
InChIKeyFDMCOYUPNVKKGU-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
CID 142493951
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N-ethyl-N,N',3,3-tetramethylpentane-1,5-diamine;molecular hydrogen
CID 170741691
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N',2,2-trimethylbutane-1,4-diamine (CID 65246754) is N'-ethyl-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N',2,2-trimethylbutane-1,4-diamine is CCN(C)CCC(C)(C)CN.
What is the InChIKey of N'-ethyl-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is FDMCOYUPNVKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-11(4)7-6-9(2,3)8-10/h5-8,10H2,1-4H3.
What are the key properties of N'-ethyl-N',2,2-trimethylbutane-1,4-diamine?
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 65246754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).