1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine

C14H28N2O — CID 61436218

IUPAC1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCCCO1)CC1(N)CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-7-3-6-10-17-13)12-14(15)8-4-2-5-9-14/h13H,2-12,15H2,1H3
InChIKeyZYSSFBKUIHQYBW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds4

About 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine

1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 61436218) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID61436218
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCCCO1)CC1(N)CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-7-3-6-10-17-13)12-14(15)8-4-2-5-9-14/h13H,2-12,15H2,1H3
InChIKeyZYSSFBKUIHQYBW-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679700
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844694
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-(oxan-2-yl)methanamine
CID 62256760
[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
CID 62391719
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 83073468
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 81171118

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 61436218) is 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is CN(CC1CCCCO1)CC1(N)CCCCC1.
What is the InChIKey of 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is ZYSSFBKUIHQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(11-13-7-3-6-10-17-13)12-14(15)8-4-2-5-9-14/h13H,2-12,15H2,1H3.
What are the key properties of 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 61436218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).