N-(2-chloropropyl)oxolan-3-amine

C7H14ClNO — CID 65024239

IUPACN-(2-chloropropyl)oxolan-3-amine
SMILESCC(Cl)CNC1CCOC1
InChIInChI=1S/C7H14ClNO/c1-6(8)4-9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3
InChIKeyAKJHUUATUNQLKC-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.99
Rot. Bonds3

About N-(2-chloropropyl)oxolan-3-amine

N-(2-chloropropyl)oxolan-3-amine (PubChem CID 65024239) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-(2-chloropropyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)oxolan-3-amine
PubChem CID65024239
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-(2-chloropropyl)oxolan-3-amine
SMILESCC(Cl)CNC1CCOC1
InChIInChI=1S/C7H14ClNO/c1-6(8)4-9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3
InChIKeyAKJHUUATUNQLKC-UHFFFAOYSA-N
XLogP0.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-(2-chloropropyl)oxolan-3-amine?
The IUPAC name of N-(2-chloropropyl)oxolan-3-amine (CID 65024239) is N-(2-chloropropyl)oxolan-3-amine.
What is the SMILES notation for N-(2-chloropropyl)oxolan-3-amine?
The canonical SMILES for N-(2-chloropropyl)oxolan-3-amine is CC(Cl)CNC1CCOC1.
What is the InChIKey of N-(2-chloropropyl)oxolan-3-amine?
The InChIKey is AKJHUUATUNQLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-6(8)4-9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(2-chloropropyl)oxolan-3-amine?
N-(2-chloropropyl)oxolan-3-amine has a molecular weight of 163.65 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)oxolan-3-amine is sourced from PubChem (CID 65024239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).