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

C12H28N2O — CID 62458821

IUPAC4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
SMILESCCCNCCCCOCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-4-8-13-9-5-6-11-15-12-7-10-14(2)3/h13H,4-12H2,1-3H3
InChIKeyFAVMVNKNHFPVJW-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds11

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

4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine (PubChem CID 62458821) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
PubChem CID62458821
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
SMILESCCCNCCCCOCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-4-8-13-9-5-6-11-15-12-7-10-14(2)3/h13H,4-12H2,1-3H3
InChIKeyFAVMVNKNHFPVJW-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
5-pentoxy-N-propylpentan-1-amine
CID 62451179
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
7-ethoxy-N-propylheptan-1-amine
CID 163393813
3-hexoxy-N-propylpropan-1-amine
CID 62456253
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine (CID 62458821) is 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine is CCCNCCCCOCCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine?
The InChIKey is FAVMVNKNHFPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-8-13-9-5-6-11-15-12-7-10-14(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine?
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine is sourced from PubChem (CID 62458821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).