3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride

C8H18ClNO — CID 69498211

IUPAC3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride
SMILESCOCCC(N)C1CC1C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6-5-7(6)8(9)3-4-10-2;/h6-8H,3-5,9H2,1-2H3;1H
InChIKeyPJKVSMKQLQUUFB-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.43
Rot. Bonds4

About 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride

3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride (PubChem CID 69498211) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride
PubChem CID69498211
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride
SMILESCOCCC(N)C1CC1C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6-5-7(6)8(9)3-4-10-2;/h6-8H,3-5,9H2,1-2H3;1H
InChIKeyPJKVSMKQLQUUFB-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride (CID 69498211) is 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride is COCCC(N)C1CC1C.Cl.
What is the InChIKey of 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride?
The InChIKey is PJKVSMKQLQUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-6-5-7(6)8(9)3-4-10-2;/h6-8H,3-5,9H2,1-2H3;1H.
What are the key properties of 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride?
3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 69498211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).