N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine

C8H20N2O — CID 167428294

IUPACN,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine
SMILESCC(C)NOCCCN(C)C
InChIInChI=1S/C8H20N2O/c1-8(2)9-11-7-5-6-10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyHLWKVXIBRLCFQB-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.87
Rot. Bonds6

About N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine

N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine (PubChem CID 167428294) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine
PubChem CID167428294
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine
SMILESCC(C)NOCCCN(C)C
InChIInChI=1S/C8H20N2O/c1-8(2)9-11-7-5-6-10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyHLWKVXIBRLCFQB-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-(propan-2-ylamino)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine (CID 167428294) is N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine is CC(C)NOCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine?
The InChIKey is HLWKVXIBRLCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2)9-11-7-5-6-10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine?
N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine has a molecular weight of 160.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-ylamino)oxypropan-1-amine is sourced from PubChem (CID 167428294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).