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

C15H30N2O — CID 102627692

IUPAC2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2CCCO2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-11-14(16)7-6-12(15(11,2)3)9-17-10-13-5-4-8-18-13/h11-14,17H,4-10,16H2,1-3H3
InChIKeyFBRXPGYDFZCWEH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.15
Rot. Bonds4

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

2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 102627692) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID102627692
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2CCCO2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-11-14(16)7-6-12(15(11,2)3)9-17-10-13-5-4-8-18-13/h11-14,17H,4-10,16H2,1-3H3
InChIKeyFBRXPGYDFZCWEH-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627798
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-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627757
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine (CID 102627692) is 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine is CC1C(N)CCC(CNCC2CCCO2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is FBRXPGYDFZCWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-14(16)7-6-12(15(11,2)3)9-17-10-13-5-4-8-18-13/h11-14,17H,4-10,16H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.15, 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-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).