2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine

C13H26N2O — CID 80999921

IUPAC2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
SMILESCOCCCN(C)C1CCC1CNC1CC1
InChIInChI=1S/C13H26N2O/c1-15(8-3-9-16-2)13-7-4-11(13)10-14-12-5-6-12/h11-14H,3-10H2,1-2H3
InChIKeyMRNMCTGYEYGMPL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine

2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine (PubChem CID 80999921) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
PubChem CID80999921
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
SMILESCOCCCN(C)C1CCC1CNC1CC1
InChIInChI=1S/C13H26N2O/c1-15(8-3-9-16-2)13-7-4-11(13)10-14-12-5-6-12/h11-14H,3-10H2,1-2H3
InChIKeyMRNMCTGYEYGMPL-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 80998461
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105418059
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
CID 80999025

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine (CID 80999921) is 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine is COCCCN(C)C1CCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The InChIKey is MRNMCTGYEYGMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(8-3-9-16-2)13-7-4-11(13)10-14-12-5-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80999921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).