4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol

C16H33NO — CID 65116794

IUPAC4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCC(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)6-7-14(3)17-12-16(18)10-8-15(4,5)9-11-16/h13-14,17-18H,6-12H2,1-5H3
InChIKeyHBJMRHGOKZRTSH-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.73
Rot. Bonds6

About 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65116794) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65116794
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCC(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)6-7-14(3)17-12-16(18)10-8-15(4,5)9-11-16/h13-14,17-18H,6-12H2,1-5H3
InChIKeyHBJMRHGOKZRTSH-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol (CID 65116794) is 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol is CC(C)CCC(C)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is HBJMRHGOKZRTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)6-7-14(3)17-12-16(18)10-8-15(4,5)9-11-16/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).