2-tert-butyl-N',N'-dimethylpropane-1,3-diamine

C9H22N2 — CID 117242323

IUPAC2-tert-butyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-9(2,3)8(6-10)7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyXIENPGKQIIXRMD-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.17
Rot. Bonds3

About 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine

2-tert-butyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 117242323) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-tert-butyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID117242323
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-tert-butyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-9(2,3)8(6-10)7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyXIENPGKQIIXRMD-UHFFFAOYSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-(methylsulfanylmethyl)butan-1-amine
CID 117242437
N',2-ditert-butylpropane-1,3-diamine
CID 139363560
3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
CID 103189561
1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
CID 58223266
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
CID 164903776
N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine
CID 155704419
1-N,1-N,3,3-tetramethylpentane-1,2-diamine
CID 130586228
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine
CID 54312620
3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
CID 117242326
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine (CID 117242323) is 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine is CN(C)CC(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is XIENPGKQIIXRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-9(2,3)8(6-10)7-11(4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine?
2-tert-butyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 117242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).