2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine

C17H34N2O — CID 103273693

IUPAC2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCC(C)CNCCC1(OCCC2CCCN2C)CCC1
InChIInChI=1S/C17H34N2O/c1-15(2)14-18-11-10-17(8-5-9-17)20-13-7-16-6-4-12-19(16)3/h15-16,18H,4-14H2,1-3H3
InChIKeyVNMDAIUKAHBGTI-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds9

About 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine

2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273693) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine
PubChem CID103273693
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCC(C)CNCCC1(OCCC2CCCN2C)CCC1
InChIInChI=1S/C17H34N2O/c1-15(2)14-18-11-10-17(8-5-9-17)20-13-7-16-6-4-12-19(16)3/h15-16,18H,4-14H2,1-3H3
InChIKeyVNMDAIUKAHBGTI-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
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-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273660
2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273231
N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
CID 103274198
N-[2-[1-(cyclopentylmethoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274232
2-methyl-N-[[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 62460799
N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103273010
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
N-methyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]propan-1-amine
CID 62459710
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
4-[(1-methylpiperidin-2-yl)methoxy]-N-(2-methylpropyl)pentan-1-amine
CID 65469993
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine (CID 103273693) is 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine is CC(C)CNCCC1(OCCC2CCCN2C)CCC1.
What is the InChIKey of 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine?
The InChIKey is VNMDAIUKAHBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)14-18-11-10-17(8-5-9-17)20-13-7-16-6-4-12-19(16)3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine?
2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).