3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine

C13H30N2O2 — CID 58806980

IUPAC3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
SMILESCNCCCOCCCCOCCCN(C)C
InChIInChI=1S/C13H30N2O2/c1-14-8-6-12-16-10-4-5-11-17-13-7-9-15(2)3/h14H,4-13H2,1-3H3
InChIKeyRZNXAPWVEBHBNQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.36
Rot. Bonds13

About 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine

3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine (PubChem CID 58806980) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
PubChem CID58806980
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
SMILESCNCCCOCCCCOCCCN(C)C
InChIInChI=1S/C13H30N2O2/c1-14-8-6-12-16-10-4-5-11-17-13-7-9-15(2)3/h14H,4-13H2,1-3H3
InChIKeyRZNXAPWVEBHBNQ-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.36
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

6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
CID 62460782
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine (CID 58806980) is 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine is CNCCCOCCCCOCCCN(C)C.
What is the InChIKey of 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine?
The InChIKey is RZNXAPWVEBHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-14-8-6-12-16-10-4-5-11-17-13-7-9-15(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine?
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine has a molecular weight of 246.39 g/mol, XLogP of 1.36, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 58806980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).