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

C17H28N2O — CID 81486841

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
SMILESCC(CN)(NC(=O)C1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C17H28N2O/c1-17(9-18,14-2-3-14)19-16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,2-9,18H2,1H3,(H,19,20)
InChIKeyRHSUIMCFBWAOTI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.30
Rot. Bonds4

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

N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide (PubChem CID 81486841) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
PubChem CID81486841
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
SMILESCC(CN)(NC(=O)C1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C17H28N2O/c1-17(9-18,14-2-3-14)19-16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,2-9,18H2,1H3,(H,19,20)
InChIKeyRHSUIMCFBWAOTI-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
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-cyclopropylpropan-2-yl)adamantane-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide (CID 81486841) is N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide is CC(CN)(NC(=O)C1C2CC3CC(C2)CC1C3)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide?
The InChIKey is RHSUIMCFBWAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(9-18,14-2-3-14)19-16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,2-9,18H2,1H3,(H,19,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide has a molecular weight of 276.42 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-cyclopropylpropan-2-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81486841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).