3-aminoadamantane-1-carboxamide

C11H18N2O — CID 67083536

IUPAC3-aminoadamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C11H18N2O/c12-9(14)10-2-7-1-8(3-10)5-11(13,4-7)6-10/h7-8H,1-6,13H2,(H2,12,14)
InChIKeyQDMQRGGNUYZHJP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds1

About 3-aminoadamantane-1-carboxamide

3-aminoadamantane-1-carboxamide (PubChem CID 67083536) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-aminoadamantane-1-carboxamide.

Molecular Properties

Compound Name3-aminoadamantane-1-carboxamide
PubChem CID67083536
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-aminoadamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C11H18N2O/c12-9(14)10-2-7-1-8(3-10)5-11(13,4-7)6-10/h7-8H,1-6,13H2,(H2,12,14)
InChIKeyQDMQRGGNUYZHJP-UHFFFAOYSA-N
XLogP0.77
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminoadamantane-1-carboxamide?
The IUPAC name of 3-aminoadamantane-1-carboxamide (CID 67083536) is 3-aminoadamantane-1-carboxamide.
What is the SMILES notation for 3-aminoadamantane-1-carboxamide?
The canonical SMILES for 3-aminoadamantane-1-carboxamide is NC(=O)C12CC3CC(CC(N)(C3)C1)C2.
What is the InChIKey of 3-aminoadamantane-1-carboxamide?
The InChIKey is QDMQRGGNUYZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-9(14)10-2-7-1-8(3-10)5-11(13,4-7)6-10/h7-8H,1-6,13H2,(H2,12,14).
What are the key properties of 3-aminoadamantane-1-carboxamide?
3-aminoadamantane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoadamantane-1-carboxamide is sourced from PubChem (CID 67083536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).