N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine

C15H30N2O — CID 62973523

IUPACN-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(CN2CCCOC(C)C2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-14-11-17(9-6-10-18-14)13-15(12-16-2)7-4-3-5-8-15/h14,16H,3-13H2,1-2H3
InChIKeyOEMYRJSDFWILRH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine

N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine (PubChem CID 62973523) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
PubChem CID62973523
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(CN2CCCOC(C)C2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-14-11-17(9-6-10-18-14)13-15(12-16-2)7-4-3-5-8-15/h14,16H,3-13H2,1-2H3
InChIKeyOEMYRJSDFWILRH-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

Analyze N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62973882
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 79183848
N-methyl-1-[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 62256723
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011
1-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 63151689
2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741753
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
1-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 55056063
N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
CID 64680158

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine (CID 62973523) is N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine is CNCC1(CN2CCCOC(C)C2)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine?
The InChIKey is OEMYRJSDFWILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14-11-17(9-6-10-18-14)13-15(12-16-2)7-4-3-5-8-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine?
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine 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-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 62973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).