N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride

C9H17ClN2O — CID 54592778

IUPACN-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride
SMILESCl.NC1CC(NC(=O)C2CCC2)C1
InChIInChI=1S/C9H16N2O.ClH/c10-7-4-8(5-7)11-9(12)6-2-1-3-6;/h6-8H,1-5,10H2,(H,11,12);1H
InChIKeyCVHZNTLBWCZMSL-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.81
Rot. Bonds2

About N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride

N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride (PubChem CID 54592778) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride
PubChem CID54592778
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC NameN-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride
SMILESCl.NC1CC(NC(=O)C2CCC2)C1
InChIInChI=1S/C9H16N2O.ClH/c10-7-4-8(5-7)11-9(12)6-2-1-3-6;/h6-8H,1-5,10H2,(H,11,12);1H
InChIKeyCVHZNTLBWCZMSL-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(methylamino)propyl]cyclobutanecarboxamide
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N-(3-aminopropyl)-N-methylcyclobutanecarboxamide hydrochloride
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N-(1-propylpiperidin-4-yl)cyclobutanecarboxamide
CID 17250181
N-(1-methylpiperidin-4-yl)cyclobutanecarboxamide
CID 25236114
N-(3-aminopropyl)-N-cyclopropylcyclobutanecarboxamide
CID 43136775
N-(azetidin-3-yl)cyclobutanecarboxamide hydrochloride
CID 75481462
N-cyclobutyl-2-(piperidin-4-yl)acetamide hydrochloride
CID 172899812
N~1~-[1-(cyclobutylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclobutanecarboxamide
CID 53016354
N-(azetidin-3-yl)cyclobutanecarboxamide
CID 53410705
N-(3-aminocyclobutyl)cyclobutanecarboxamide
CID 43594903
N-[(1-fluorocyclobutyl)methyl]cyclobutanecarboxamide
CID 130649671

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride (CID 54592778) is N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride is Cl.NC1CC(NC(=O)C2CCC2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride?
The InChIKey is CVHZNTLBWCZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c10-7-4-8(5-7)11-9(12)6-2-1-3-6;/h6-8H,1-5,10H2,(H,11,12);1H.
What are the key properties of N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride?
N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 54592778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).