N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine

C12H23NO — CID 65194954

IUPACN-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
SMILESCOCCCC1(CNC2CC2)CCC1
InChIInChI=1S/C12H23NO/c1-14-9-3-8-12(6-2-7-12)10-13-11-4-5-11/h11,13H,2-10H2,1H3
InChIKeyZARKGLHVWOZYET-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds7

About N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine

N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 65194954) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID65194954
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
SMILESCOCCCC1(CNC2CC2)CCC1
InChIInChI=1S/C12H23NO/c1-14-9-3-8-12(6-2-7-12)10-13-11-4-5-11/h11,13H,2-10H2,1H3
InChIKeyZARKGLHVWOZYET-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
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-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844810
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
3-cyclopropyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexan-1-amine
CID 103903916

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine (CID 65194954) is N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine is COCCCC1(CNC2CC2)CCC1.
What is the InChIKey of N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is ZARKGLHVWOZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-9-3-8-12(6-2-7-12)10-13-11-4-5-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine?
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 65194954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).