1-[1-(dimethylamino)cycloheptyl]nonan-1-ol

C18H37NO — CID 79074118

IUPAC1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
SMILESCCCCCCCCC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-11-14-17(20)18(19(2)3)15-12-9-10-13-16-18/h17,20H,4-16H2,1-3H3
InChIKeyXXEPUMHJWRNDOW-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.75
Rot. Bonds9

About 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol

1-[1-(dimethylamino)cycloheptyl]nonan-1-ol (PubChem CID 79074118) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
PubChem CID79074118
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
SMILESCCCCCCCCC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-11-14-17(20)18(19(2)3)15-12-9-10-13-16-18/h17,20H,4-16H2,1-3H3
InChIKeyXXEPUMHJWRNDOW-UHFFFAOYSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]butan-1-ol
CID 79066197
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol
CID 122612860
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol
CID 82920231
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-aminopentyl)-N,N-dimethylcyclohexan-1-amine
CID 79066659
1-(1-piperidin-1-ylcyclopentyl)hexan-1-ol
CID 79058984

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol (CID 79074118) is 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol is CCCCCCCCC(O)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol?
The InChIKey is XXEPUMHJWRNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-11-14-17(20)18(19(2)3)15-12-9-10-13-16-18/h17,20H,4-16H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol?
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]nonan-1-ol is sourced from PubChem (CID 79074118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).