N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine

C15H30N2O — CID 55152195

IUPACN-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(N2CCCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-3-5-13-6-7-14(16-2)15(12-13)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyMXGIGVPIZCCNIW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine

N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine (PubChem CID 55152195) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
PubChem CID55152195
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(N2CCCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-3-5-13-6-7-14(16-2)15(12-13)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyMXGIGVPIZCCNIW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62986422
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
CID 62987813
2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 103532456
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
4-ethyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169906
N,4-diethyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63469848
2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 55064782
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
CID 113335646
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
CID 79860805

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine (CID 55152195) is N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(N2CCCOCC2)C1.
What is the InChIKey of N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine?
The InChIKey is MXGIGVPIZCCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-13-6-7-14(16-2)15(12-13)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine?
N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55152195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).