N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid

C15H25Cl2N3O3 — CID 90022455

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid
SMILESCN(CCCN)CCCN.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C7H19N3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-10(6-2-4-8)7-3-5-9/h2-3H,1H3,(H,11,12);2-9H2,1H3
InChIKeyXNYCXKRWVHWIBE-UHFFFAOYSA-N
MW366.29 g/mol
LogP2.32
Rot. Bonds8

About N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 90022455) has the molecular formula C15H25Cl2N3O3 and a molecular weight of 366.29 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid
PubChem CID90022455
Molecular FormulaC15H25Cl2N3O3
Molecular Weight366.29 g/mol
Exact Mass365.13
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid
SMILESCN(CCCN)CCCN.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C7H19N3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-10(6-2-4-8)7-3-5-9/h2-3H,1H3,(H,11,12);2-9H2,1H3
InChIKeyXNYCXKRWVHWIBE-UHFFFAOYSA-N
XLogP2.32
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid (CID 90022455) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid is CN(CCCN)CCCN.COc1c(Cl)ccc(Cl)c1C(=O)O.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid?
The InChIKey is XNYCXKRWVHWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C7H19N3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-10(6-2-4-8)7-3-5-9/h2-3H,1H3,(H,11,12);2-9H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 366.29 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 90022455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).