3-butoxy-N,N-dimethylpropan-1-amine

C9H21NO — CID 547393

IUPAC3-butoxy-N,N-dimethylpropan-1-amine
SMILESCCCCOCCCN(C)C
InChIInChI=1S/C9H21NO/c1-4-5-8-11-9-6-7-10(2)3/h4-9H2,1-3H3
InChIKeySCSCNTOYWUFFCE-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds7

About 3-butoxy-N,N-dimethylpropan-1-amine

3-butoxy-N,N-dimethylpropan-1-amine (PubChem CID 547393) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-butoxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-N,N-dimethylpropan-1-amine
PubChem CID547393
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-butoxy-N,N-dimethylpropan-1-amine
SMILESCCCCOCCCN(C)C
InChIInChI=1S/C9H21NO/c1-4-5-8-11-9-6-7-10(2)3/h4-9H2,1-3H3
InChIKeySCSCNTOYWUFFCE-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-N,N-dimethylpropan-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

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide
CID 46899
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
CID 170216374
N,N-Dimethyl-3-isopropoxypropylamine
CID 547394
N,N-Dimethyl-3-tert-butoxypropylamine
CID 547395
Trimethyl-methoxypropanyl-ammonium-bromide
CID 129704811
Ethoxypropyl-1,1,1-trimethylammonium chloride
CID 129849207
N,N-dimethyl-3-triethylgermyloxypropan-1-amine
CID 134905007

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-butoxy-N,N-dimethylpropan-1-amine (CID 547393) is 3-butoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-butoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-butoxy-N,N-dimethylpropan-1-amine is CCCCOCCCN(C)C.
What is the InChIKey of 3-butoxy-N,N-dimethylpropan-1-amine?
The InChIKey is SCSCNTOYWUFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-8-11-9-6-7-10(2)3/h4-9H2,1-3H3.
What are the key properties of 3-butoxy-N,N-dimethylpropan-1-amine?
3-butoxy-N,N-dimethylpropan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 547393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).