2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol

C15H31NO — CID 112633337

IUPAC2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
SMILESCC(C)CCCCCCNC1CC(O)C1(C)C
InChIInChI=1S/C15H31NO/c1-12(2)9-7-5-6-8-10-16-13-11-14(17)15(13,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyYASWKLFVHJIGAL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds8

About 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol

2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol (PubChem CID 112633337) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
PubChem CID112633337
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
SMILESCC(C)CCCCCCNC1CC(O)C1(C)C
InChIInChI=1S/C15H31NO/c1-12(2)9-7-5-6-8-10-16-13-11-14(17)15(13,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyYASWKLFVHJIGAL-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol (CID 112633337) is 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol is CC(C)CCCCCCNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol?
The InChIKey is YASWKLFVHJIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)9-7-5-6-8-10-16-13-11-14(17)15(13,3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).