4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine

C11H26N2O — CID 63007950

IUPAC4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)CCCOC
InChIInChI=1S/C11H26N2O/c1-11(7-5-8-12-2)13(3)9-6-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyDAWZJLGOWABKMQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds9

About 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine

4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 63007950) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
PubChem CID63007950
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)CCCOC
InChIInChI=1S/C11H26N2O/c1-11(7-5-8-12-2)13(3)9-6-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyDAWZJLGOWABKMQ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
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

3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
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,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
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
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine (CID 63007950) is 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine is CNCCCC(C)N(C)CCCOC.
What is the InChIKey of 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is DAWZJLGOWABKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-11(7-5-8-12-2)13(3)9-6-10-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine?
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 63007950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).