N-[(4-dodecylphenyl)methyl]naphthalen-1-amine

C29H39N — CID 71381127

IUPACN-[(4-dodecylphenyl)methyl]naphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C29H39N/c1-2-3-4-5-6-7-8-9-10-11-15-25-20-22-26(23-21-25)24-30-29-19-14-17-27-16-12-13-18-28(27)29/h12-14,16-23,30H,2-11,15,24H2,1H3
InChIKeyLNRRXTCGHJCELV-UHFFFAOYSA-N
MW401.64 g/mol
LogP8.92
Rot. Bonds14

About N-[(4-dodecylphenyl)methyl]naphthalen-1-amine

N-[(4-dodecylphenyl)methyl]naphthalen-1-amine (PubChem CID 71381127) has the molecular formula C29H39N and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[(4-dodecylphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-dodecylphenyl)methyl]naphthalen-1-amine
PubChem CID71381127
Molecular FormulaC29H39N
Molecular Weight401.64 g/mol
Exact Mass401.31
IUPAC NameN-[(4-dodecylphenyl)methyl]naphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C29H39N/c1-2-3-4-5-6-7-8-9-10-11-15-25-20-22-26(23-21-25)24-30-29-19-14-17-27-16-12-13-18-28(27)29/h12-14,16-23,30H,2-11,15,24H2,1H3
InChIKeyLNRRXTCGHJCELV-UHFFFAOYSA-N
XLogP8.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 58.92
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-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
6-hexyl-N-methylnaphthalen-1-amine
CID 174703881
3-decyl-N-methylnaphthalen-1-amine
CID 175279970
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233

Frequently Asked Questions

What is the IUPAC name of N-[(4-dodecylphenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(4-dodecylphenyl)methyl]naphthalen-1-amine (CID 71381127) is N-[(4-dodecylphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(4-dodecylphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(4-dodecylphenyl)methyl]naphthalen-1-amine is CCCCCCCCCCCCc1ccc(CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-dodecylphenyl)methyl]naphthalen-1-amine?
The InChIKey is LNRRXTCGHJCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N/c1-2-3-4-5-6-7-8-9-10-11-15-25-20-22-26(23-21-25)24-30-29-19-14-17-27-16-12-13-18-28(27)29/h12-14,16-23,30H,2-11,15,24H2,1H3.
What are the key properties of N-[(4-dodecylphenyl)methyl]naphthalen-1-amine?
N-[(4-dodecylphenyl)methyl]naphthalen-1-amine has a molecular weight of 401.64 g/mol, XLogP of 8.92, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-dodecylphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 71381127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).