N-(1-aminobutan-2-yl)adamantane-1-carboxamide

C15H26N2O — CID 63754089

IUPACN-(1-aminobutan-2-yl)adamantane-1-carboxamide
SMILESCCC(CN)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-2-13(9-16)17-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,2-9,16H2,1H3,(H,17,18)
InChIKeyPMDJJXPWVSXOLL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.06
Rot. Bonds4

About N-(1-aminobutan-2-yl)adamantane-1-carboxamide

N-(1-aminobutan-2-yl)adamantane-1-carboxamide (PubChem CID 63754089) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)adamantane-1-carboxamide
PubChem CID63754089
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-aminobutan-2-yl)adamantane-1-carboxamide
SMILESCCC(CN)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-2-13(9-16)17-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,2-9,16H2,1H3,(H,17,18)
InChIKeyPMDJJXPWVSXOLL-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)adamantane-1-carboxamide (CID 63754089) is N-(1-aminobutan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)adamantane-1-carboxamide is CCC(CN)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-aminobutan-2-yl)adamantane-1-carboxamide?
The InChIKey is PMDJJXPWVSXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-13(9-16)17-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,2-9,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminobutan-2-yl)adamantane-1-carboxamide?
N-(1-aminobutan-2-yl)adamantane-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 63754089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).