2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol

C14H30N2O — CID 112633951

IUPAC2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
SMILESCC(C)N(C)CCCCNC1CC(O)C1(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)16(5)9-7-6-8-15-12-10-13(17)14(12,3)4/h11-13,15,17H,6-10H2,1-5H3
InChIKeyBAYSKBGLXMVIRN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol

2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol (PubChem CID 112633951) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
PubChem CID112633951
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
SMILESCC(C)N(C)CCCCNC1CC(O)C1(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)16(5)9-7-6-8-15-12-10-13(17)14(12,3)4/h11-13,15,17H,6-10H2,1-5H3
InChIKeyBAYSKBGLXMVIRN-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633285
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol (CID 112633951) is 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol is CC(C)N(C)CCCCNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol?
The InChIKey is BAYSKBGLXMVIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)16(5)9-7-6-8-15-12-10-13(17)14(12,3)4/h11-13,15,17H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).