2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine

C16H33NO — CID 103273231

IUPAC2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCC(C)CCCOC1(CCNCC(C)C)CCC1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-12-18-16(8-6-9-16)10-11-17-13-15(3)4/h14-15,17H,5-13H2,1-4H3
InChIKeyFEWBRKBQCZKWSM-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds10

About 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine

2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273231) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273231
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCC(C)CCCOC1(CCNCC(C)C)CCC1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-12-18-16(8-6-9-16)10-11-17-13-15(3)4/h14-15,17H,5-13H2,1-4H3
InChIKeyFEWBRKBQCZKWSM-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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

2-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273660
N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273223
N-[2-[1-(cyclopentylmethoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274232
2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine
CID 103273693
N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103273010
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273231) is 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine is CC(C)CCCOC1(CCNCC(C)C)CCC1.
What is the InChIKey of 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is FEWBRKBQCZKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)7-5-12-18-16(8-6-9-16)10-11-17-13-15(3)4/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine?
2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).