3-(oxolan-3-yl)propan-1-amine;hydrochloride

C7H16ClNO — CID 45075170

IUPAC3-(oxolan-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCC1CCOC1
InChIInChI=1S/C7H15NO.ClH/c8-4-1-2-7-3-5-9-6-7;/h7H,1-6,8H2;1H
InChIKeyCLZWNLCSKOKAMP-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.18
Rot. Bonds3

About 3-(oxolan-3-yl)propan-1-amine;hydrochloride

3-(oxolan-3-yl)propan-1-amine;hydrochloride (PubChem CID 45075170) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 3-(oxolan-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(oxolan-3-yl)propan-1-amine;hydrochloride
PubChem CID45075170
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name3-(oxolan-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCC1CCOC1
InChIInChI=1S/C7H15NO.ClH/c8-4-1-2-7-3-5-9-6-7;/h7H,1-6,8H2;1H
InChIKeyCLZWNLCSKOKAMP-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(oxolan-3-yl)propan-1-amine;hydrochloride (CID 45075170) is 3-(oxolan-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(oxolan-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(oxolan-3-yl)propan-1-amine;hydrochloride is Cl.NCCCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)propan-1-amine;hydrochloride?
The InChIKey is CLZWNLCSKOKAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c8-4-1-2-7-3-5-9-6-7;/h7H,1-6,8H2;1H.
What are the key properties of 3-(oxolan-3-yl)propan-1-amine;hydrochloride?
3-(oxolan-3-yl)propan-1-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 45075170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).