N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine

C30H49N — CID 70613686

IUPACN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
SMILESCCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H49N/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3
InChIKeyWCBDDPOYELNVML-UHFFFAOYSA-N
MW423.73 g/mol
LogP9.19
Rot. Bonds19

About N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine

N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine (PubChem CID 70613686) has the molecular formula C30H49N and a molecular weight of 423.73 g/mol. Its IUPAC name is N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
PubChem CID70613686
Molecular FormulaC30H49N
Molecular Weight423.73 g/mol
Exact Mass423.39
IUPAC NameN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
SMILESCCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H49N/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3
InChIKeyWCBDDPOYELNVML-UHFFFAOYSA-N
XLogP9.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 59.19
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-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
1-tetradecylnaphthalene
CID 14402128
1-butylnaphthalene;ethane
CID 142087052
N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
potassium;hydride;1-octylnaphthalene
CID 173443599
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035
N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
CID 174826270
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-[(E)-icos-9-enyl]naphthalene
CID 101307696

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine?
The IUPAC name of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine (CID 70613686) is N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine.
What is the SMILES notation for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine?
The canonical SMILES for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine is CCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine?
The InChIKey is WCBDDPOYELNVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3.
What are the key properties of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine?
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine has a molecular weight of 423.73 g/mol, XLogP of 9.19, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine is sourced from PubChem (CID 70613686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).