N-(3-chloropropyl)-N-methyloxan-4-amine

C9H18ClNO — CID 61288160

IUPACN-(3-chloropropyl)-N-methyloxan-4-amine
SMILESCN(CCCCl)C1CCOCC1
InChIInChI=1S/C9H18ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h9H,2-8H2,1H3
InChIKeyKWHVMPKXXFZGDH-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds4

About N-(3-chloropropyl)-N-methyloxan-4-amine

N-(3-chloropropyl)-N-methyloxan-4-amine (PubChem CID 61288160) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methyloxan-4-amine
PubChem CID61288160
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-(3-chloropropyl)-N-methyloxan-4-amine
SMILESCN(CCCCl)C1CCOCC1
InChIInChI=1S/C9H18ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h9H,2-8H2,1H3
InChIKeyKWHVMPKXXFZGDH-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
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)-N-methyloxan-4-amine?
The IUPAC name of N-(3-chloropropyl)-N-methyloxan-4-amine (CID 61288160) is N-(3-chloropropyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methyloxan-4-amine is CN(CCCCl)C1CCOCC1.
What is the InChIKey of N-(3-chloropropyl)-N-methyloxan-4-amine?
The InChIKey is KWHVMPKXXFZGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-methyloxan-4-amine?
N-(3-chloropropyl)-N-methyloxan-4-amine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methyloxan-4-amine is sourced from PubChem (CID 61288160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).