3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine

C10H24N2O — CID 63009569

IUPAC3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-10(6-7-11-2)12(3)8-5-9-13-4/h10-11H,5-9H2,1-4H3
InChIKeyDFWJPUGNAYGVDR-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds8

About 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine

3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 63009569) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID63009569
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-10(6-7-11-2)12(3)8-5-9-13-4/h10-11H,5-9H2,1-4H3
InChIKeyDFWJPUGNAYGVDR-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63008518
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 63009569) is 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNCCC(C)N(C)CCCOC.
What is the InChIKey of 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is DFWJPUGNAYGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-10(6-7-11-2)12(3)8-5-9-13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine?
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 63009569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).