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

C13H26N2O — CID 63044910

IUPAC3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCCC(N)C1)CC1CCCO1
InChIInChI=1S/C13H26N2O/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h11-13H,2-10,14H2,1H3
InChIKeyFYTSNNWAICHBPL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine

3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 63044910) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID63044910
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCCC(N)C1)CC1CCCO1
InChIInChI=1S/C13H26N2O/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h11-13H,2-10,14H2,1H3
InChIKeyFYTSNNWAICHBPL-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62437130
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 63044910) is 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is CN(CC1CCCC(N)C1)CC1CCCO1.
What is the InChIKey of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is FYTSNNWAICHBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h11-13H,2-10,14H2,1H3.
What are the key properties of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63044910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).