2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

C15H32N2O — CID 82952445

IUPAC2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCN(CC1C(C)CC(C)CC1N)C(C)C
InChIInChI=1S/C15H32N2O/c1-11(2)17(6-7-18-5)10-14-13(4)8-12(3)9-15(14)16/h11-15H,6-10,16H2,1-5H3
InChIKeyVVIYTGSBOXWWET-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.35
Rot. Bonds6

About 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 82952445) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID82952445
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCN(CC1C(C)CC(C)CC1N)C(C)C
InChIInChI=1S/C15H32N2O/c1-11(2)17(6-7-18-5)10-14-13(4)8-12(3)9-15(14)16/h11-15H,6-10,16H2,1-5H3
InChIKeyVVIYTGSBOXWWET-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736449
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-N-(3-methoxypropyl)-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751365
2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
CID 64735435
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (CID 82952445) is 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is COCCN(CC1C(C)CC(C)CC1N)C(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is VVIYTGSBOXWWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-11(2)17(6-7-18-5)10-14-13(4)8-12(3)9-15(14)16/h11-15H,6-10,16H2,1-5H3.
What are the key properties of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82952445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).