3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol

C13H26N2O — CID 103952016

IUPAC3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(CNC1CC(O)C1(C)C)N(C)C1CC1
InChIInChI=1S/C13H26N2O/c1-9(15(4)10-5-6-10)8-14-11-7-12(16)13(11,2)3/h9-12,14,16H,5-8H2,1-4H3
InChIKeyRXULHOOGFJSOIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol

3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952016) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103952016
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(CNC1CC(O)C1(C)C)N(C)C1CC1
InChIInChI=1S/C13H26N2O/c1-9(15(4)10-5-6-10)8-14-11-7-12(16)13(11,2)3/h9-12,14,16H,5-8H2,1-4H3
InChIKeyRXULHOOGFJSOIE-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
CID 104859774
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
2,2-dimethyl-3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 114628965
3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633243
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylacetamide
CID 114448903
2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol
CID 166383064

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol (CID 103952016) is 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol is CC(CNC1CC(O)C1(C)C)N(C)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RXULHOOGFJSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(15(4)10-5-6-10)8-14-11-7-12(16)13(11,2)3/h9-12,14,16H,5-8H2,1-4H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol?
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).