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

C16H27ClN2O — CID 119669367

IUPACN-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O.ClH/c17-14-2-1-13(6-14)15(19)18-16-7-10-3-11(8-16)5-12(4-10)9-16;/h10-14H,1-9,17H2,(H,18,19);1H
InChIKeyAKOOPNXBMNKIRU-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.62
Rot. Bonds2

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

N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride (PubChem CID 119669367) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
PubChem CID119669367
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O.ClH/c17-14-2-1-13(6-14)15(19)18-16-7-10-3-11(8-16)5-12(4-10)9-16;/h10-14H,1-9,17H2,(H,18,19);1H
InChIKeyAKOOPNXBMNKIRU-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62807277
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CID 119735680
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
CID 99970201
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
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N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
CID 113280324
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 130840798
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
3-amino-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912547
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride (CID 119669367) is N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AKOOPNXBMNKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c17-14-2-1-13(6-14)15(19)18-16-7-10-3-11(8-16)5-12(4-10)9-16;/h10-14H,1-9,17H2,(H,18,19);1H.
What are the key properties of N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119669367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).