N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine

C9H22N2O — CID 135231655

IUPACN,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine
SMILESCCCN(C)OCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-5-7-11(4)12-9-6-8-10(2)3/h5-9H2,1-4H3
InChIKeyLPFKIAIGNKCTDI-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.21
Rot. Bonds7

About N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine

N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine (PubChem CID 135231655) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine
PubChem CID135231655
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine
SMILESCCCN(C)OCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-5-7-11(4)12-9-6-8-10(2)3/h5-9H2,1-4H3
InChIKeyLPFKIAIGNKCTDI-UHFFFAOYSA-N
XLogP1.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine (CID 135231655) is N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine is CCCN(C)OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine?
The InChIKey is LPFKIAIGNKCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-7-11(4)12-9-6-8-10(2)3/h5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine?
N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl(propyl)amino]oxypropan-1-amine is sourced from PubChem (CID 135231655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).