N-methoxypropan-2-amine;hydrochloride

C4H12ClNO — CID 71756557

IUPACN-methoxypropan-2-amine;hydrochloride
SMILESCONC(C)C.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(2)5-6-3;/h4-5H,1-3H3;1H
InChIKeyNNCJQXQCWNAEKD-UHFFFAOYSA-N
MW125.60 g/mol
LogP0.97
Rot. Bonds2

About N-methoxypropan-2-amine;hydrochloride

N-methoxypropan-2-amine;hydrochloride (PubChem CID 71756557) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is N-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methoxypropan-2-amine;hydrochloride
PubChem CID71756557
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC NameN-methoxypropan-2-amine;hydrochloride
SMILESCONC(C)C.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(2)5-6-3;/h4-5H,1-3H3;1H
InChIKeyNNCJQXQCWNAEKD-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Isopropylhydroxylamine Hydrochloride
CID 170873
Ethoxy(propan-2-yl)amine
CID 14849020
Ethyl(methoxy)amine hydrochloride
CID 22613948
N-methoxycyclobutanamine hydrochloride
CID 139026574
Methoxy(propan-2-YL)amine
CID 12651820
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Ethoxy(propan-2-yl)amine hydrochloride
CID 122163408
1-Methylpropylhydroxyl amine
CID 3018801
1-Propanamine, N-methoxy-
CID 11815284
Butyl(methoxy)amine
CID 12651819
N-propoxypropan-2-amine
CID 53716767
N-methoxy-3-methylbutan-2-amine
CID 82711534

Frequently Asked Questions

What is the IUPAC name of N-methoxypropan-2-amine;hydrochloride?
The IUPAC name of N-methoxypropan-2-amine;hydrochloride (CID 71756557) is N-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for N-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for N-methoxypropan-2-amine;hydrochloride is CONC(C)C.Cl.
What is the InChIKey of N-methoxypropan-2-amine;hydrochloride?
The InChIKey is NNCJQXQCWNAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(2)5-6-3;/h4-5H,1-3H3;1H.
What are the key properties of N-methoxypropan-2-amine;hydrochloride?
N-methoxypropan-2-amine;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 71756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).