N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine

C15H29NO — CID 114197418

IUPACN,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine
SMILESCNC1CC(OCC2CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H29NO/c1-11-6-5-7-12(8-11)10-17-14-9-13(16-4)15(14,2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyJJRZGRPWCDVVEO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

About N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine

N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine (PubChem CID 114197418) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine
PubChem CID114197418
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine
SMILESCNC1CC(OCC2CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H29NO/c1-11-6-5-7-12(8-11)10-17-14-9-13(16-4)15(14,2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyJJRZGRPWCDVVEO-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350255
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
N,2,2-trimethyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 66359193
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
3-(cyclohexylmethoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351784
3-(2-cyclobutylethoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 106207315
2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
CID 115977507
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine (CID 114197418) is N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine is CNC1CC(OCC2CCCC(C)C2)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine?
The InChIKey is JJRZGRPWCDVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-6-5-7-12(8-11)10-17-14-9-13(16-4)15(14,2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine?
N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(3-methylcyclohexyl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 114197418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).