N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine

C8H18ClNO — CID 61452154

IUPACN-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)CCCCl
InChIInChI=1S/C8H18ClNO/c1-8(7-11-3)10(2)6-4-5-9/h8H,4-7H2,1-3H3
InChIKeyFIIVXTRDLUTGKX-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.58
Rot. Bonds6

About N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine

N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 61452154) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine
PubChem CID61452154
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)CCCCl
InChIInChI=1S/C8H18ClNO/c1-8(7-11-3)10(2)6-4-5-9/h8H,4-7H2,1-3H3
InChIKeyFIIVXTRDLUTGKX-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine (CID 61452154) is N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)CCCCl.
What is the InChIKey of N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is FIIVXTRDLUTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-8(7-11-3)10(2)6-4-5-9/h8H,4-7H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine?
N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine has a molecular weight of 179.69 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 61452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).