2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine

C10H24N2O2 — CID 103152493

IUPAC2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
SMILESCOCCCN(C)CCC(CN)OC
InChIInChI=1S/C10H24N2O2/c1-12(6-4-8-13-2)7-5-10(9-11)14-3/h10H,4-9,11H2,1-3H3
InChIKeyVHVXBOTWCRTUDR-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.32
Rot. Bonds9

About 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine

2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine (PubChem CID 103152493) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
PubChem CID103152493
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
SMILESCOCCCN(C)CCC(CN)OC
InChIInChI=1S/C10H24N2O2/c1-12(6-4-8-13-2)7-5-10(9-11)14-3/h10H,4-9,11H2,1-3H3
InChIKeyVHVXBOTWCRTUDR-UHFFFAOYSA-N
XLogP0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine
CID 103152650
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
2-methoxy-N'-methyl-N'-[(2-methylcyclopropyl)methyl]butane-1,4-diamine
CID 103152563
4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
CID 62983591
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine (CID 103152493) is 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine is COCCCN(C)CCC(CN)OC.
What is the InChIKey of 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine?
The InChIKey is VHVXBOTWCRTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-12(6-4-8-13-2)7-5-10(9-11)14-3/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine?
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 103152493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).