2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine

C16H32N2O — CID 102627798

IUPAC2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2CCCCO2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-12-15(17)8-7-13(16(12,2)3)10-18-11-14-6-4-5-9-19-14/h12-15,18H,4-11,17H2,1-3H3
InChIKeyQQEARDIVMPJFPM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds4

About 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 102627798) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID102627798
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2CCCCO2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-12-15(17)8-7-13(16(12,2)3)10-18-11-14-6-4-5-9-19-14/h12-15,18H,4-11,17H2,1-3H3
InChIKeyQQEARDIVMPJFPM-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627692
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627953
2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 102627893
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627757
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
CID 102656856

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine (CID 102627798) is 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine is CC1C(N)CCC(CNCC2CCCCO2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is QQEARDIVMPJFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12-15(17)8-7-13(16(12,2)3)10-18-11-14-6-4-5-9-19-14/h12-15,18H,4-11,17H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).