N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide

C16H28N2O — CID 81096337

IUPACN-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide
SMILESCCC(C)(CN)NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-16(2,9-17)18-15(19)14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyQGOOPJQFXFXEGD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.30
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide

N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide (PubChem CID 81096337) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide
PubChem CID81096337
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide
SMILESCCC(C)(CN)NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-16(2,9-17)18-15(19)14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyQGOOPJQFXFXEGD-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide (CID 81096337) is N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide is CCC(C)(CN)NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide?
The InChIKey is QGOOPJQFXFXEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-16(2,9-17)18-15(19)14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14H,3-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide?
N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81096337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).