N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine

C12H28N2 — CID 79652389

IUPACN'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCC(C)(C)C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-11(2,3)7-8-14(6)10-12(4,5)9-13/h7-10,13H2,1-6H3
InChIKeyPGOGFPHTJWIEFY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds5

About N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79652389) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79652389
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCC(C)(C)C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-11(2,3)7-8-14(6)10-12(4,5)9-13/h7-10,13H2,1-6H3
InChIKeyPGOGFPHTJWIEFY-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
CID 142493951
[3-[3,3-dimethylbutyl(methyl)amino]-2,2-dimethylpropyl] 2-methylprop-2-enoate
CID 170388193
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
[3,3-dimethylbutyl(methyl)amino]methanethiol
CID 115228352

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine (CID 79652389) is N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine is CN(CCC(C)(C)C)CC(C)(C)CN.
What is the InChIKey of N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is PGOGFPHTJWIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2,3)7-8-14(6)10-12(4,5)9-13/h7-10,13H2,1-6H3.
What are the key properties of N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).