1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine

C14H24N2O3 — CID 115203637

IUPAC1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
SMILESCOc1cc(OC)c(OC)cc1NCCCC(C)N
InChIInChI=1S/C14H24N2O3/c1-10(15)6-5-7-16-11-8-13(18-3)14(19-4)9-12(11)17-2/h8-10,16H,5-7,15H2,1-4H3
InChIKeyIKXYZOGKALUWIF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds8

About 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine

1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine (PubChem CID 115203637) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
PubChem CID115203637
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
SMILESCOc1cc(OC)c(OC)cc1NCCCC(C)N
InChIInChI=1S/C14H24N2O3/c1-10(15)6-5-7-16-11-8-13(18-3)14(19-4)9-12(11)17-2/h8-10,16H,5-7,15H2,1-4H3
InChIKeyIKXYZOGKALUWIF-UHFFFAOYSA-N
XLogP2.25
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115197735
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
1-N-(5-chloro-4-methoxy-2-methylphenyl)butane-1,3-diamine
CID 115199013
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine (CID 115203637) is 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine is COc1cc(OC)c(OC)cc1NCCCC(C)N.
What is the InChIKey of 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine?
The InChIKey is IKXYZOGKALUWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(15)6-5-7-16-11-8-13(18-3)14(19-4)9-12(11)17-2/h8-10,16H,5-7,15H2,1-4H3.
What are the key properties of 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine?
1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine is sourced from PubChem (CID 115203637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).