4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

C21H32N2O2 — CID 12579216

IUPAC4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(OC)c(OC)c2ccccc12
InChIInChI=1S/C21H32N2O2/c1-6-23(7-2)14-10-11-16(3)22-19-15-20(24-4)21(25-5)18-13-9-8-12-17(18)19/h8-9,12-13,15-16,22H,6-7,10-11,14H2,1-5H3
InChIKeyLQJXDOBPFNGTKD-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.78
Rot. Bonds10

About 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 12579216) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID12579216
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(OC)c(OC)c2ccccc12
InChIInChI=1S/C21H32N2O2/c1-6-23(7-2)14-10-11-16(3)22-19-15-20(24-4)21(25-5)18-13-9-8-12-17(18)19/h8-9,12-13,15-16,22H,6-7,10-11,14H2,1-5H3
InChIKeyLQJXDOBPFNGTKD-UHFFFAOYSA-N
XLogP4.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
CID 2253328
4-Cyclohexyl-1-[N-(5-methoxynaphthalen-1-yl)-2-aminoethyl]-piperazine
CID 51003168
N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
CID 2772097
N-benzhydryl-4,5-dimethoxy-2-methylaniline
CID 2490040
7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23636355
N-(3,4-dimethoxybenzyl)-2-(3-methoxyphenethyl)aniline
CID 24808344
N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
CID 984297
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 20306575
N-(3,4-dimethoxyphenyl)-1-phenethyl-piperidin-4-amine
CID 24101046
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline
CID 3284200
5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23636353

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 12579216) is 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(OC)c(OC)c2ccccc12.
What is the InChIKey of 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LQJXDOBPFNGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-23(7-2)14-10-11-16(3)22-19-15-20(24-4)21(25-5)18-13-9-8-12-17(18)19/h8-9,12-13,15-16,22H,6-7,10-11,14H2,1-5H3.
What are the key properties of 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 344.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxynaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 12579216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).