N,N-dimethyl-3-propan-2-yloxypropan-1-amine

C8H19NO — CID 547394

IUPACN,N-dimethyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCN(C)C
InChIInChI=1S/C8H19NO/c1-8(2)10-7-5-6-9(3)4/h8H,5-7H2,1-4H3
InChIKeyMKGNLKOVMBMBGS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.36
Rot. Bonds5

About N,N-dimethyl-3-propan-2-yloxypropan-1-amine

N,N-dimethyl-3-propan-2-yloxypropan-1-amine (PubChem CID 547394) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yloxypropan-1-amine
PubChem CID547394
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN,N-dimethyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCN(C)C
InChIInChI=1S/C8H19NO/c1-8(2)10-7-5-6-9(3)4/h8H,5-7H2,1-4H3
InChIKeyMKGNLKOVMBMBGS-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-propan-2-yloxypropan-1-amine (CID 547394) is N,N-dimethyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-propan-2-yloxypropan-1-amine is CC(C)OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is MKGNLKOVMBMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2)10-7-5-6-9(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
N,N-dimethyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 547394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).