N-octyl-N-(4-octylphenyl)naphthalen-2-amine

C32H45N — CID 22735158

IUPACN-octyl-N-(4-octylphenyl)naphthalen-2-amine
SMILESCCCCCCCCc1ccc(N(CCCCCCCC)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H45N/c1-3-5-7-9-11-13-17-28-20-23-31(24-21-28)33(26-16-12-10-8-6-4-2)32-25-22-29-18-14-15-19-30(29)27-32/h14-15,18-25,27H,3-13,16-17,26H2,1-2H3
InChIKeyVBSMUYDIFASFGL-UHFFFAOYSA-N
MW443.72 g/mol
LogP10.24
Rot. Bonds16

About N-octyl-N-(4-octylphenyl)naphthalen-2-amine

N-octyl-N-(4-octylphenyl)naphthalen-2-amine (PubChem CID 22735158) has the molecular formula C32H45N and a molecular weight of 443.72 g/mol. Its IUPAC name is N-octyl-N-(4-octylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-octyl-N-(4-octylphenyl)naphthalen-2-amine
PubChem CID22735158
Molecular FormulaC32H45N
Molecular Weight443.72 g/mol
Exact Mass443.36
IUPAC NameN-octyl-N-(4-octylphenyl)naphthalen-2-amine
SMILESCCCCCCCCc1ccc(N(CCCCCCCC)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H45N/c1-3-5-7-9-11-13-17-28-20-23-31(24-21-28)33(26-16-12-10-8-6-4-2)32-25-22-29-18-14-15-19-30(29)27-32/h14-15,18-25,27H,3-13,16-17,26H2,1-2H3
InChIKeyVBSMUYDIFASFGL-UHFFFAOYSA-N
XLogP10.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 510.24
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

benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
4-octyl-N-(4-octylphenyl)-N-(2-phenylethyl)aniline
CID 141327378
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
butane;N-octyl-N-phenylaniline
CID 175431375
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743

Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(4-octylphenyl)naphthalen-2-amine?
The IUPAC name of N-octyl-N-(4-octylphenyl)naphthalen-2-amine (CID 22735158) is N-octyl-N-(4-octylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-octyl-N-(4-octylphenyl)naphthalen-2-amine?
The canonical SMILES for N-octyl-N-(4-octylphenyl)naphthalen-2-amine is CCCCCCCCc1ccc(N(CCCCCCCC)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-octyl-N-(4-octylphenyl)naphthalen-2-amine?
The InChIKey is VBSMUYDIFASFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N/c1-3-5-7-9-11-13-17-28-20-23-31(24-21-28)33(26-16-12-10-8-6-4-2)32-25-22-29-18-14-15-19-30(29)27-32/h14-15,18-25,27H,3-13,16-17,26H2,1-2H3.
What are the key properties of N-octyl-N-(4-octylphenyl)naphthalen-2-amine?
N-octyl-N-(4-octylphenyl)naphthalen-2-amine has a molecular weight of 443.72 g/mol, XLogP of 10.24, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(4-octylphenyl)naphthalen-2-amine is sourced from PubChem (CID 22735158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).