3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol

C13H28N2O — CID 103951997

IUPAC3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC(C)N(C)CCNC1CC(O)C1(C)C
InChIInChI=1S/C13H28N2O/c1-6-10(2)15(5)8-7-14-11-9-12(16)13(11,3)4/h10-12,14,16H,6-9H2,1-5H3
InChIKeyDFSQBALTTBREJJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103951997) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103951997
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC(C)N(C)CCNC1CC(O)C1(C)C
InChIInChI=1S/C13H28N2O/c1-6-10(2)15(5)8-7-14-11-9-12(16)13(11,3)4/h10-12,14,16H,6-9H2,1-5H3
InChIKeyDFSQBALTTBREJJ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
CID 115716401
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952016
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910

Frequently Asked Questions

What is the IUPAC name of 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 103951997) is 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol is CCC(C)N(C)CCNC1CC(O)C1(C)C.
What is the InChIKey of 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is DFSQBALTTBREJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-10(2)15(5)8-7-14-11-9-12(16)13(11,3)4/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).