N-(3-chlorobutyl)oxolan-3-amine

C8H16ClNO — CID 65024579

IUPACN-(3-chlorobutyl)oxolan-3-amine
SMILESCC(Cl)CCNC1CCOC1
InChIInChI=1S/C8H16ClNO/c1-7(9)2-4-10-8-3-5-11-6-8/h7-8,10H,2-6H2,1H3
InChIKeyFJIMTEKLSOKOKM-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.38
Rot. Bonds4

About N-(3-chlorobutyl)oxolan-3-amine

N-(3-chlorobutyl)oxolan-3-amine (PubChem CID 65024579) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(3-chlorobutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)oxolan-3-amine
PubChem CID65024579
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(3-chlorobutyl)oxolan-3-amine
SMILESCC(Cl)CCNC1CCOC1
InChIInChI=1S/C8H16ClNO/c1-7(9)2-4-10-8-3-5-11-6-8/h7-8,10H,2-6H2,1H3
InChIKeyFJIMTEKLSOKOKM-UHFFFAOYSA-N
XLogP1.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.38
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-(3-chlorobutyl)oxolan-3-amine?
The IUPAC name of N-(3-chlorobutyl)oxolan-3-amine (CID 65024579) is N-(3-chlorobutyl)oxolan-3-amine.
What is the SMILES notation for N-(3-chlorobutyl)oxolan-3-amine?
The canonical SMILES for N-(3-chlorobutyl)oxolan-3-amine is CC(Cl)CCNC1CCOC1.
What is the InChIKey of N-(3-chlorobutyl)oxolan-3-amine?
The InChIKey is FJIMTEKLSOKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(9)2-4-10-8-3-5-11-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(3-chlorobutyl)oxolan-3-amine?
N-(3-chlorobutyl)oxolan-3-amine has a molecular weight of 177.67 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)oxolan-3-amine is sourced from PubChem (CID 65024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).