4-(propan-2-ylamino)adamantan-1-ol

C13H23NO — CID 59868061

IUPAC4-(propan-2-ylamino)adamantan-1-ol
SMILESCC(C)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C13H23NO/c1-8(2)14-12-10-3-9-4-11(12)7-13(15,5-9)6-10/h8-12,14-15H,3-7H2,1-2H3
InChIKeySIDGMWKLYNBPGP-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.92
Rot. Bonds2

About 4-(propan-2-ylamino)adamantan-1-ol

4-(propan-2-ylamino)adamantan-1-ol (PubChem CID 59868061) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(propan-2-ylamino)adamantan-1-ol.

Molecular Properties

Compound Name4-(propan-2-ylamino)adamantan-1-ol
PubChem CID59868061
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(propan-2-ylamino)adamantan-1-ol
SMILESCC(C)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C13H23NO/c1-8(2)14-12-10-3-9-4-11(12)7-13(15,5-9)6-10/h8-12,14-15H,3-7H2,1-2H3
InChIKeySIDGMWKLYNBPGP-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Aminoethyl)adamantan-1-ol
CID 2769978
4-Aminoadamantan-1-ol hydrochloride
CID 2857446
3-(1-Amino-propyl)-adamantan-1-ol
CID 2828196
4-Aminoadamantan-1-ol
CID 2857447
trans-4-Aminoadamantan-1-ol
CID 45489844
(1R,3S,4S,5S,7S)-rel-4-Aminoadamantan-1-ol
CID 789687
2-Aminoadamantan-1-ol
CID 12466712
trans-4-Aminoadamantan-1-ol Hydrochloride
CID 45489843
4-[((S)-4,4-difluoro-pyrrolidin-2-ylmethyl)-amino]-adamantan-1-ol
CID 66774547
4-[(4,4-Difluoropyrrolidin-2-yl)methylamino]adamantan-1-ol
CID 66774548
(1S,3R)-5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine
CID 130334650
5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine
CID 135290916

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)adamantan-1-ol?
The IUPAC name of 4-(propan-2-ylamino)adamantan-1-ol (CID 59868061) is 4-(propan-2-ylamino)adamantan-1-ol.
What is the SMILES notation for 4-(propan-2-ylamino)adamantan-1-ol?
The canonical SMILES for 4-(propan-2-ylamino)adamantan-1-ol is CC(C)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(propan-2-ylamino)adamantan-1-ol?
The InChIKey is SIDGMWKLYNBPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)14-12-10-3-9-4-11(12)7-13(15,5-9)6-10/h8-12,14-15H,3-7H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)adamantan-1-ol?
4-(propan-2-ylamino)adamantan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)adamantan-1-ol is sourced from PubChem (CID 59868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).