2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

C19H37NO — CID 107138156

IUPAC2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(C2CCCOC2)C1
InChIInChI=1S/C19H37NO/c1-14(2)15-8-9-16(12-20-19(3,4)5)18(11-15)17-7-6-10-21-13-17/h14-18,20H,6-13H2,1-5H3
InChIKeyMCAZKKKIEGZNIC-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 107138156) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID107138156
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(C2CCCOC2)C1
InChIInChI=1S/C19H37NO/c1-14(2)15-8-9-16(12-20-19(3,4)5)18(11-15)17-7-6-10-21-13-17/h14-18,20H,6-13H2,1-5H3
InChIKeyMCAZKKKIEGZNIC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
N-methyl-1-[2-(oxan-3-yl)cyclopropyl]methanamine
CID 63740963
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
N-[[2-(oxan-3-yl)cyclobutyl]methyl]ethanamine
CID 107138098
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272
N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81029514
N-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 107138156) is 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CC(C)C1CCC(CNC(C)(C)C)C(C2CCCOC2)C1.
What is the InChIKey of 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is MCAZKKKIEGZNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14(2)15-8-9-16(12-20-19(3,4)5)18(11-15)17-7-6-10-21-13-17/h14-18,20H,6-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 107138156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).