4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride

C18H24ClN — CID 69399060

IUPAC4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H23N.ClH/c19-13-4-3-10-18(11-5-12-18)17-9-8-15-6-1-2-7-16(15)14-17;/h1-2,6-9,14H,3-5,10-13,19H2;1H
InChIKeyIMNVRXSHIQBLIG-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.81
Rot. Bonds5

About 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride

4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride (PubChem CID 69399060) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride
PubChem CID69399060
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H23N.ClH/c19-13-4-3-10-18(11-5-12-18)17-9-8-15-6-1-2-7-16(15)14-17;/h1-2,6-9,14H,3-5,10-13,19H2;1H
InChIKeyIMNVRXSHIQBLIG-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 62034
CID 62034
CID 106831
CID 106831
CID 118215
CID 118215
CID 10219723
CID 10219723
CID 53319832
CID 53319832
CID 20853
CID 20853
CID 3311060
CID 3311060
CID 137282
CID 137282
CID 15632212
CID 15632212
CID 10354158
CID 10354158
CID 44373221
CID 44373221
CID 413939
CID 413939

Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride?
The IUPAC name of 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride (CID 69399060) is 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride is Cl.NCCCCC1(c2ccc3ccccc3c2)CCC1.
What is the InChIKey of 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride?
The InChIKey is IMNVRXSHIQBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c19-13-4-3-10-18(11-5-12-18)17-9-8-15-6-1-2-7-16(15)14-17;/h1-2,6-9,14H,3-5,10-13,19H2;1H.
What are the key properties of 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride?
4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 69399060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).