N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride

C15H26ClN3O — CID 154904087

IUPACN-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C15H25N3O.ClH/c16-13-1-2-18(9-13)14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15;/h10-13H,1-9,16H2,(H,17,19);1H
InChIKeyHNCHDRMFDVMFKV-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.12
Rot. Bonds1

About N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride

N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride (PubChem CID 154904087) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
PubChem CID154904087
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C15H25N3O.ClH/c16-13-1-2-18(9-13)14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15;/h10-13H,1-9,16H2,(H,17,19);1H
InChIKeyHNCHDRMFDVMFKV-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride (CID 154904087) is N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride is Cl.NC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is HNCHDRMFDVMFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c16-13-1-2-18(9-13)14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15;/h10-13H,1-9,16H2,(H,17,19);1H.
What are the key properties of N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride?
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154904087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).