N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine

C10H24N2O — CID 63008855

IUPACN'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-11-7-4-5-8-12(2)9-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyVUIJJQAFSXCBOW-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds9

About N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine

N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 63008855) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID63008855
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-11-7-4-5-8-12(2)9-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyVUIJJQAFSXCBOW-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114141026

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine (CID 63008855) is N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)CCCOC.
What is the InChIKey of N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is VUIJJQAFSXCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-11-7-4-5-8-12(2)9-6-10-13-3/h11H,4-10H2,1-3H3.
What are the key properties of N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 63008855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).