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

C17H34N2O — CID 102627890

IUPAC2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCOC2)C1(C)C
InChIInChI=1S/C17H34N2O/c1-13-16(18)8-7-15(17(13,2)3)11-19(4)10-14-6-5-9-20-12-14/h13-16H,5-12,18H2,1-4H3
InChIKeyAKYRHWXWRIIWOX-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.74
Rot. Bonds4

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

2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 102627890) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID102627890
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCOC2)C1(C)C
InChIInChI=1S/C17H34N2O/c1-13-16(18)8-7-15(17(13,2)3)11-19(4)10-14-6-5-9-20-12-14/h13-16H,5-12,18H2,1-4H3
InChIKeyAKYRHWXWRIIWOX-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 115453877
4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627905
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N,3,5-trimethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735271
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 102627890) is 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CN(C)CC2CCCOC2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is AKYRHWXWRIIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-16(18)8-7-15(17(13,2)3)11-19(4)10-14-6-5-9-20-12-14/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).