N-methoxycyclobutanamine;hydrochloride

C5H12ClNO — CID 139026574

IUPACN-methoxycyclobutanamine;hydrochloride
SMILESCONC1CCC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-7-6-5-3-2-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyJQEYMFBGJGVXHK-UHFFFAOYSA-N
MW137.61 g/mol
LogP1.11
Rot. Bonds2

About N-methoxycyclobutanamine;hydrochloride

N-methoxycyclobutanamine;hydrochloride (PubChem CID 139026574) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is N-methoxycyclobutanamine;hydrochloride.

Molecular Properties

Compound NameN-methoxycyclobutanamine;hydrochloride
PubChem CID139026574
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC NameN-methoxycyclobutanamine;hydrochloride
SMILESCONC1CCC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-7-6-5-3-2-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyJQEYMFBGJGVXHK-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 51.11
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-cyclobutylhydroxylaminehydrochloride
CID 141324435
Methoxy(propan-2-YL)amine
CID 12651820
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Methoxy(propan-2-yl)amine hydrochloride
CID 71756557
N-methoxycyclobutanamine
CID 22088026
N-methoxybutan-2-amine
CID 12770713
N-methoxypentan-2-amine
CID 79612595
1-N-methoxycyclobutane-1,3-diamine
CID 82711062
N-ethoxycyclobutanamine
CID 82712342
(2R)-N-methoxybutan-2-amine
CID 93515716
N-propan-2-yloxycyclobutanamine
CID 130833121
N-propoxycyclobutanamine
CID 131050544

Frequently Asked Questions

What is the IUPAC name of N-methoxycyclobutanamine;hydrochloride?
The IUPAC name of N-methoxycyclobutanamine;hydrochloride (CID 139026574) is N-methoxycyclobutanamine;hydrochloride.
What is the SMILES notation for N-methoxycyclobutanamine;hydrochloride?
The canonical SMILES for N-methoxycyclobutanamine;hydrochloride is CONC1CCC1.Cl.
What is the InChIKey of N-methoxycyclobutanamine;hydrochloride?
The InChIKey is JQEYMFBGJGVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-7-6-5-3-2-4-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of N-methoxycyclobutanamine;hydrochloride?
N-methoxycyclobutanamine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxycyclobutanamine;hydrochloride is sourced from PubChem (CID 139026574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).