3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol

C12H26N2O — CID 112633910

IUPAC3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(CCN(C)C)NC1CC(O)C1(C)C
InChIInChI=1S/C12H26N2O/c1-9(6-7-14(4)5)13-10-8-11(15)12(10,2)3/h9-11,13,15H,6-8H2,1-5H3
InChIKeyGSHSYDATEBZLMF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol

3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633910) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633910
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(CCN(C)C)NC1CC(O)C1(C)C
InChIInChI=1S/C12H26N2O/c1-9(6-7-14(4)5)13-10-8-11(15)12(10,2)3/h9-11,13,15H,6-8H2,1-5H3
InChIKeyGSHSYDATEBZLMF-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 79928044
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 115977674
2,2-dimethyl-3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutan-1-ol
CID 112633726
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol (CID 112633910) is 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol is CC(CCN(C)C)NC1CC(O)C1(C)C.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is GSHSYDATEBZLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(6-7-14(4)5)13-10-8-11(15)12(10,2)3/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).