2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine

C16H32N2O — CID 102627953

IUPAC2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2(C)CCCO2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-12-14(17)7-6-13(15(12,2)3)10-18-11-16(4)8-5-9-19-16/h12-14,18H,5-11,17H2,1-4H3
InChIKeyPDPKRZXMURLOFA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds4

About 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 102627953) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID102627953
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2(C)CCCO2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-12-14(17)7-6-13(15(12,2)3)10-18-11-16(4)8-5-9-19-16/h12-14,18H,5-11,17H2,1-4H3
InChIKeyPDPKRZXMURLOFA-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-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-tert-butyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 14652957
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 26458392
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 26458394
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43081471
4-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 43095611
4-(2-methylbutan-2-yl)-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 43103283
2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 43109811
2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43179165
3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43179226
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43180083
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431167

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine (CID 102627953) is 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CNCC2(C)CCCO2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is PDPKRZXMURLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12-14(17)7-6-13(15(12,2)3)10-18-11-16(4)8-5-9-19-16/h12-14,18H,5-11,17H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]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-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).