[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine

C16H32N2O — CID 65050899

IUPAC[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)6-8-16(14-17,9-7-15)19-13-5-12-18-10-3-4-11-18/h3-14,17H2,1-2H3
InChIKeyPCLPRDYSUJWDGV-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds6

About [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine (PubChem CID 65050899) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
PubChem CID65050899
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)6-8-16(14-17,9-7-15)19-13-5-12-18-10-3-4-11-18/h3-14,17H2,1-2H3
InChIKeyPCLPRDYSUJWDGV-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
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

[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
CID 81107245
[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine
CID 107910928
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625
1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65051176
[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
CID 65052823
[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
CID 65050468
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
CID 65052194
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
CID 118883339
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine (CID 65050899) is [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCCCN2CCCC2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine?
The InChIKey is PCLPRDYSUJWDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)6-8-16(14-17,9-7-15)19-13-5-12-18-10-3-4-11-18/h3-14,17H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).