N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride

C17H29ClN2O — CID 119477426

IUPACN-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H28N2O.ClH/c18-14-1-3-15(4-2-14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h10-16H,1-9,18H2,(H,19,20);1H
InChIKeyGWZRPZLCCDCYOB-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.87
Rot. Bonds2

About N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride (PubChem CID 119477426) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
PubChem CID119477426
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H28N2O.ClH/c18-14-1-3-15(4-2-14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h10-16H,1-9,18H2,(H,19,20);1H
InChIKeyGWZRPZLCCDCYOB-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride (CID 119477426) is N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride?
The InChIKey is GWZRPZLCCDCYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c18-14-1-3-15(4-2-14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h10-16H,1-9,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119477426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).