2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C14H29NO — CID 62708502

IUPAC2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-10(2)12-6-7-14(16)13(8-12)9-15(5)11(3)4/h10-14,16H,6-9H2,1-5H3
InChIKeyMNGRTWPQVSOSJY-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.76
Rot. Bonds4

About 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62708502) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62708502
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-10(2)12-6-7-14(16)13(8-12)9-15(5)11(3)4/h10-14,16H,6-9H2,1-5H3
InChIKeyMNGRTWPQVSOSJY-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[bis(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105830
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-[[bis(prop-2-enyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62704909
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708323
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63493814
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55106445
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708698
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62707955
4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 62610075

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62708502) is 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(C)C(C)C)C1.
What is the InChIKey of 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is MNGRTWPQVSOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)12-6-7-14(16)13(8-12)9-15(5)11(3)4/h10-14,16H,6-9H2,1-5H3.
What are the key properties of 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).