N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride

C28H46ClN — CID 174059419

IUPACN,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl
InChIInChI=1S/C28H45N.ClH/c1-29(2)25-18-14-12-10-8-6-4-3-5-7-9-11-13-15-20-26-22-19-23-27-21-16-17-24-28(26)27;/h16-17,19,21-24H,3-15,18,20,25H2,1-2H3;1H
InChIKeyZDIOHWPUIRWSFN-UHFFFAOYSA-N
MW432.14 g/mol
LogP8.83
Rot. Bonds17

About N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride

N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride (PubChem CID 174059419) has the molecular formula C28H46ClN and a molecular weight of 432.14 g/mol. Its IUPAC name is N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
PubChem CID174059419
Molecular FormulaC28H46ClN
Molecular Weight432.14 g/mol
Exact Mass431.33
IUPAC NameN,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl
InChIInChI=1S/C28H45N.ClH/c1-29(2)25-18-14-12-10-8-6-4-3-5-7-9-11-13-15-20-26-22-19-23-27-21-16-17-24-28(26)27;/h16-17,19,21-24H,3-15,18,20,25H2,1-2H3;1H
InChIKeyZDIOHWPUIRWSFN-UHFFFAOYSA-N
XLogP8.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.14
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
1-tetradecylnaphthalene
CID 14402128
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
CID 132545214
potassium;hydride;1-octylnaphthalene
CID 173443599
8-naphthalen-1-yloctan-1-amine
CID 100987116
N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
CID 170865144
1-(4-fluorobutyl)naphthalene
CID 174977280
1-butylnaphthalene;ethane
CID 142087052
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride (CID 174059419) is N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride is CN(C)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The InChIKey is ZDIOHWPUIRWSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N.ClH/c1-29(2)25-18-14-12-10-8-6-4-3-5-7-9-11-13-15-20-26-22-19-23-27-21-16-17-24-28(26)27;/h16-17,19,21-24H,3-15,18,20,25H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride has a molecular weight of 432.14 g/mol, XLogP of 8.83, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride is sourced from PubChem (CID 174059419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).