N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride

C17H21ClN2O — CID 119409122

IUPACN-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C17H20N2O.ClH/c18-9-4-10-19-17(20)16-11-15(16)14-8-3-6-12-5-1-2-7-13(12)14;/h1-3,5-8,15-16H,4,9-11,18H2,(H,19,20);1H
InChIKeyHKIYYTPUBADESC-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.83
Rot. Bonds5

About N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride

N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119409122) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119409122
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C17H20N2O.ClH/c18-9-4-10-19-17(20)16-11-15(16)14-8-3-6-12-5-1-2-7-13(12)14;/h1-3,5-8,15-16H,4,9-11,18H2,(H,19,20);1H
InChIKeyHKIYYTPUBADESC-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride (CID 119409122) is N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CC1c1cccc2ccccc12.
What is the InChIKey of N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HKIYYTPUBADESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c18-9-4-10-19-17(20)16-11-15(16)14-8-3-6-12-5-1-2-7-13(12)14;/h1-3,5-8,15-16H,4,9-11,18H2,(H,19,20);1H.
What are the key properties of N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119409122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).