N-nonylnaphthalen-1-amine

C19H27N — CID 63488249

IUPACN-nonylnaphthalen-1-amine
SMILESCCCCCCCCCNc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-2-3-4-5-6-7-10-16-20-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15,20H,2-7,10,16H2,1H3
InChIKeyNIHAEFBIFMIFSQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP6.00
Rot. Bonds9

About N-nonylnaphthalen-1-amine

N-nonylnaphthalen-1-amine (PubChem CID 63488249) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-nonylnaphthalen-1-amine.

Molecular Properties

Compound NameN-nonylnaphthalen-1-amine
PubChem CID63488249
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-nonylnaphthalen-1-amine
SMILESCCCCCCCCCNc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-2-3-4-5-6-7-10-16-20-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15,20H,2-7,10,16H2,1H3
InChIKeyNIHAEFBIFMIFSQ-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 56.00
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-icosylnaphthalen-1-amine
CID 53260207
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-nonylnaphthalen-1-amine?
The IUPAC name of N-nonylnaphthalen-1-amine (CID 63488249) is N-nonylnaphthalen-1-amine.
What is the SMILES notation for N-nonylnaphthalen-1-amine?
The canonical SMILES for N-nonylnaphthalen-1-amine is CCCCCCCCCNc1cccc2ccccc12.
What is the InChIKey of N-nonylnaphthalen-1-amine?
The InChIKey is NIHAEFBIFMIFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-3-4-5-6-7-10-16-20-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15,20H,2-7,10,16H2,1H3.
What are the key properties of N-nonylnaphthalen-1-amine?
N-nonylnaphthalen-1-amine has a molecular weight of 269.43 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonylnaphthalen-1-amine is sourced from PubChem (CID 63488249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).