N-icosylnaphthalen-1-amine

C30H49N — CID 53260207

IUPACN-icosylnaphthalen-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNc1cccc2ccccc12
InChIInChI=1S/C30H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-31-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26,31H,2-18,21,27H2,1H3
InChIKeyWVBWXDSYIUGFIN-UHFFFAOYSA-N
MW423.73 g/mol
LogP10.29
Rot. Bonds20

About N-icosylnaphthalen-1-amine

N-icosylnaphthalen-1-amine (PubChem CID 53260207) has the molecular formula C30H49N and a molecular weight of 423.73 g/mol. Its IUPAC name is N-icosylnaphthalen-1-amine.

Molecular Properties

Compound NameN-icosylnaphthalen-1-amine
PubChem CID53260207
Molecular FormulaC30H49N
Molecular Weight423.73 g/mol
Exact Mass423.39
IUPAC NameN-icosylnaphthalen-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNc1cccc2ccccc12
InChIInChI=1S/C30H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-31-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26,31H,2-18,21,27H2,1H3
InChIKeyWVBWXDSYIUGFIN-UHFFFAOYSA-N
XLogP10.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 510.29
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

N-nonylnaphthalen-1-amine
CID 63488249
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
5-(dodecylamino)naphthalen-1-ol
CID 11438841
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
2-(hexadecylamino)phenol
CID 154256819
N-[(4-dodecylphenyl)methyl]naphthalen-1-amine
CID 71381127
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19142376
2-naphthalen-1-yl-1,1-dioctylhydrazine
CID 175148627
N-heptylquinolin-8-amine
CID 43130175
N-heptyl-2-methylsulfanylaniline
CID 43683418

Frequently Asked Questions

What is the IUPAC name of N-icosylnaphthalen-1-amine?
The IUPAC name of N-icosylnaphthalen-1-amine (CID 53260207) is N-icosylnaphthalen-1-amine.
What is the SMILES notation for N-icosylnaphthalen-1-amine?
The canonical SMILES for N-icosylnaphthalen-1-amine is CCCCCCCCCCCCCCCCCCCCNc1cccc2ccccc12.
What is the InChIKey of N-icosylnaphthalen-1-amine?
The InChIKey is WVBWXDSYIUGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-31-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26,31H,2-18,21,27H2,1H3.
What are the key properties of N-icosylnaphthalen-1-amine?
N-icosylnaphthalen-1-amine has a molecular weight of 423.73 g/mol, XLogP of 10.29, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosylnaphthalen-1-amine is sourced from PubChem (CID 53260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).