2-(propan-2-ylamino)adamantane-2-carboxamide

C14H24N2O — CID 62780654

IUPAC2-(propan-2-ylamino)adamantane-2-carboxamide
SMILESCC(C)NC1(C(N)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O/c1-8(2)16-14(13(15)17)11-4-9-3-10(6-11)7-12(14)5-9/h8-12,16H,3-7H2,1-2H3,(H2,15,17)
InChIKeyZLRKSMRKUBIXTJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.66
Rot. Bonds3

About 2-(propan-2-ylamino)adamantane-2-carboxamide

2-(propan-2-ylamino)adamantane-2-carboxamide (PubChem CID 62780654) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)adamantane-2-carboxamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)adamantane-2-carboxamide
PubChem CID62780654
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(propan-2-ylamino)adamantane-2-carboxamide
SMILESCC(C)NC1(C(N)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O/c1-8(2)16-14(13(15)17)11-4-9-3-10(6-11)7-12(14)5-9/h8-12,16H,3-7H2,1-2H3,(H2,15,17)
InChIKeyZLRKSMRKUBIXTJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.66
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)adamantane-2-carboxamide?
The IUPAC name of 2-(propan-2-ylamino)adamantane-2-carboxamide (CID 62780654) is 2-(propan-2-ylamino)adamantane-2-carboxamide.
What is the SMILES notation for 2-(propan-2-ylamino)adamantane-2-carboxamide?
The canonical SMILES for 2-(propan-2-ylamino)adamantane-2-carboxamide is CC(C)NC1(C(N)=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(propan-2-ylamino)adamantane-2-carboxamide?
The InChIKey is ZLRKSMRKUBIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-8(2)16-14(13(15)17)11-4-9-3-10(6-11)7-12(14)5-9/h8-12,16H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 2-(propan-2-ylamino)adamantane-2-carboxamide?
2-(propan-2-ylamino)adamantane-2-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.66, 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)adamantane-2-carboxamide is sourced from PubChem (CID 62780654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).