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

C12H25NO — CID 81017330

IUPACN-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
SMILESCOCCCC1CCC1CNC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)13-9-12-7-6-11(12)5-4-8-14-3/h10-13H,4-9H2,1-3H3
InChIKeySBCZIAUVOCXXOO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

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

N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017330) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017330
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
SMILESCOCCCC1CCC1CNC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)13-9-12-7-6-11(12)5-4-8-14-3/h10-13H,4-9H2,1-3H3
InChIKeySBCZIAUVOCXXOO-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
CID 81016967
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]ethanamine
CID 81017291
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017434
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]propan-1-amine
CID 81017621
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine
CID 81018178
2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]propan-1-amine
CID 81021706
2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]propan-2-amine
CID 81023182
1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148355
1-cyclobutyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148574
1-cyclobutyl-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149310
1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149648
1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149937

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine (CID 81017330) is N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine is COCCCC1CCC1CNC(C)C.
What is the InChIKey of N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is SBCZIAUVOCXXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)13-9-12-7-6-11(12)5-4-8-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).