2-[(propan-2-ylamino)methyl]adamantan-2-ol

C14H25NO — CID 62774121

IUPAC2-[(propan-2-ylamino)methyl]adamantan-2-ol
SMILESCC(C)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(2)15-8-14(16)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,15-16H,3-8H2,1-2H3
InChIKeyQULCXPBSUCJXLI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.17
Rot. Bonds3

About 2-[(propan-2-ylamino)methyl]adamantan-2-ol

2-[(propan-2-ylamino)methyl]adamantan-2-ol (PubChem CID 62774121) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(propan-2-ylamino)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(propan-2-ylamino)methyl]adamantan-2-ol
PubChem CID62774121
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(propan-2-ylamino)methyl]adamantan-2-ol
SMILESCC(C)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(2)15-8-14(16)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,15-16H,3-8H2,1-2H3
InChIKeyQULCXPBSUCJXLI-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(propan-2-ylamino)methyl]adamantan-2-ol?
The IUPAC name of 2-[(propan-2-ylamino)methyl]adamantan-2-ol (CID 62774121) is 2-[(propan-2-ylamino)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(propan-2-ylamino)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(propan-2-ylamino)methyl]adamantan-2-ol is CC(C)NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(propan-2-ylamino)methyl]adamantan-2-ol?
The InChIKey is QULCXPBSUCJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)15-8-14(16)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,15-16H,3-8H2,1-2H3.
What are the key properties of 2-[(propan-2-ylamino)methyl]adamantan-2-ol?
2-[(propan-2-ylamino)methyl]adamantan-2-ol has a molecular weight of 223.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propan-2-ylamino)methyl]adamantan-2-ol is sourced from PubChem (CID 62774121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).