N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride

C21H32ClN — CID 118513338

IUPACN-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCNCc1cccc2ccccc12.Cl
InChIInChI=1S/C21H31N.ClH/c1-2-3-4-5-6-7-8-11-17-22-18-20-15-12-14-19-13-9-10-16-21(19)20;/h9-10,12-16,22H,2-8,11,17-18H2,1H3;1H
InChIKeyAQLHPWLSDMUXAI-UHFFFAOYSA-N
MW333.95 g/mol
LogP6.49
Rot. Bonds11

About N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride

N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride (PubChem CID 118513338) has the molecular formula C21H32ClN and a molecular weight of 333.95 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
PubChem CID118513338
Molecular FormulaC21H32ClN
Molecular Weight333.95 g/mol
Exact Mass333.22
IUPAC NameN-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCNCc1cccc2ccccc12.Cl
InChIInChI=1S/C21H31N.ClH/c1-2-3-4-5-6-7-8-11-17-22-18-20-15-12-14-19-13-9-10-16-21(19)20;/h9-10,12-16,22H,2-8,11,17-18H2,1H3;1H
InChIKeyAQLHPWLSDMUXAI-UHFFFAOYSA-N
XLogP6.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.95
LogP ≤ 56.49
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

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N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
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N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
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N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
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CID 11766966
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
CID 59694789
CID 59694789
N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride?
The IUPAC name of N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride (CID 118513338) is N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride?
The canonical SMILES for N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride is CCCCCCCCCCNCc1cccc2ccccc12.Cl.
What is the InChIKey of N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride?
The InChIKey is AQLHPWLSDMUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N.ClH/c1-2-3-4-5-6-7-8-11-17-22-18-20-15-12-14-19-13-9-10-16-21(19)20;/h9-10,12-16,22H,2-8,11,17-18H2,1H3;1H.
What are the key properties of N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride?
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride has a molecular weight of 333.95 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride is sourced from PubChem (CID 118513338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).