1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol

C15H29NO — CID 113425809

IUPAC1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CC(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H29NO/c1-12-5-7-15(17,8-6-12)11-16-9-13(10-16)14(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyQSPPYIVDKJBQRQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.91
Rot. Bonds2

About 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol

1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 113425809) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
PubChem CID113425809
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CC(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H29NO/c1-12-5-7-15(17,8-6-12)11-16-9-13(10-16)14(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyQSPPYIVDKJBQRQ-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol
CID 106103014
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 111462447
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 113425808
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 97216802
1-[[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 155821259
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
1-(iodomethyl)-4-methylcyclohexan-1-ol
CID 114775211
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol (CID 113425809) is 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CN2CC(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is QSPPYIVDKJBQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-5-7-15(17,8-6-12)11-16-9-13(10-16)14(2,3)4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol?
1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 113425809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).