1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol

C18H31NO — CID 63865912

IUPAC1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
SMILESCC1CC1CN(C)CC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-12-3-16(12)10-19(2)11-17(20)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-17,20H,3-11H2,1-2H3
InChIKeyUDJOZNIBTLRERD-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.15
Rot. Bonds5

About 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol

1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol (PubChem CID 63865912) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
PubChem CID63865912
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
SMILESCC1CC1CN(C)CC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-12-3-16(12)10-19(2)11-17(20)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-17,20H,3-11H2,1-2H3
InChIKeyUDJOZNIBTLRERD-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The IUPAC name of 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol (CID 63865912) is 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol is CC1CC1CN(C)CC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The InChIKey is UDJOZNIBTLRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-12-3-16(12)10-19(2)11-17(20)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-17,20H,3-11H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol is sourced from PubChem (CID 63865912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).