1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol

C18H29NO — CID 13247476

IUPAC1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol
SMILESCN(C)CC1CCC(C)(C)CC1(O)Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-17(2)11-10-16(13-19(3)4)18(20,14-17)12-15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3
InChIKeyPQUKRLVXXGHDKE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds4

About 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol

1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol (PubChem CID 13247476) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol
PubChem CID13247476
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol
SMILESCN(C)CC1CCC(C)(C)CC1(O)Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-17(2)11-10-16(13-19(3)4)18(20,14-17)12-15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3
InChIKeyPQUKRLVXXGHDKE-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69339910
2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclopentan-1-ol
CID 13458035
2-benzyl-N-[2-[(2-benzyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 145487640
2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol
CID 23105820
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol
CID 174385984
4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
CID 83823956
2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
CID 130122085
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol (CID 13247476) is 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol is CN(C)CC1CCC(C)(C)CC1(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol?
The InChIKey is PQUKRLVXXGHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)11-10-16(13-19(3)4)18(20,14-17)12-15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3.
What are the key properties of 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol?
1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 13247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).