N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine

C14H29NO — CID 103019860

IUPACN-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1CCC1CNC(C)C
InChIInChI=1S/C14H29NO/c1-11(2)15-10-13-7-6-12(13)8-9-14(3,4)16-5/h11-13,15H,6-10H2,1-5H3
InChIKeyUWYYUNRWLCJLQX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 103019860) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine
PubChem CID103019860
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1CCC1CNC(C)C
InChIInChI=1S/C14H29NO/c1-11(2)15-10-13-7-6-12(13)8-9-14(3,4)16-5/h11-13,15H,6-10H2,1-5H3
InChIKeyUWYYUNRWLCJLQX-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
CID 103019848
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451
2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
CID 103036460
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine
CID 81005326
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 81033222
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 103036769

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine (CID 103019860) is N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine is COC(C)(C)CCC1CCC1CNC(C)C.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is UWYYUNRWLCJLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)15-10-13-7-6-12(13)8-9-14(3,4)16-5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 103019860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).