N-methoxybutan-2-amine;hydrochloride

C5H14ClNO — CID 71756556

IUPACN-methoxybutan-2-amine;hydrochloride
SMILESCCC(C)NOC.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4-5(2)6-7-3;/h5-6H,4H2,1-3H3;1H
InChIKeyFBILPNJBWNTZEF-UHFFFAOYSA-N
MW139.63 g/mol
LogP1.36
Rot. Bonds3

About N-methoxybutan-2-amine;hydrochloride

N-methoxybutan-2-amine;hydrochloride (PubChem CID 71756556) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is N-methoxybutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methoxybutan-2-amine;hydrochloride
PubChem CID71756556
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC NameN-methoxybutan-2-amine;hydrochloride
SMILESCCC(C)NOC.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4-5(2)6-7-3;/h5-6H,4H2,1-3H3;1H
InChIKeyFBILPNJBWNTZEF-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methoxybutan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxybutan-2-amine;hydrochloride?
The IUPAC name of N-methoxybutan-2-amine;hydrochloride (CID 71756556) is N-methoxybutan-2-amine;hydrochloride.
What is the SMILES notation for N-methoxybutan-2-amine;hydrochloride?
The canonical SMILES for N-methoxybutan-2-amine;hydrochloride is CCC(C)NOC.Cl.
What is the InChIKey of N-methoxybutan-2-amine;hydrochloride?
The InChIKey is FBILPNJBWNTZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-4-5(2)6-7-3;/h5-6H,4H2,1-3H3;1H.
What are the key properties of N-methoxybutan-2-amine;hydrochloride?
N-methoxybutan-2-amine;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxybutan-2-amine;hydrochloride is sourced from PubChem (CID 71756556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).