2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol

C16H29NO — CID 81413296

IUPAC2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO/c1-3-16(2,10-18)9-17-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,17-18H,3-10H2,1-2H3
InChIKeyYZUXYRCTVVZDNX-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.81
Rot. Bonds5

About 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol

2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81413296) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
PubChem CID81413296
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO/c1-3-16(2,10-18)9-17-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,17-18H,3-10H2,1-2H3
InChIKeyYZUXYRCTVVZDNX-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol (CID 81413296) is 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is YZUXYRCTVVZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-16(2,10-18)9-17-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,17-18H,3-10H2,1-2H3.
What are the key properties of 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol?
2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81413296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).