1-N-methoxycyclobutane-1,3-diamine

C5H12N2O — CID 82711062

IUPAC1-N-methoxycyclobutane-1,3-diamine
SMILESCONC1CC(N)C1
InChIInChI=1S/C5H12N2O/c1-8-7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3
InChIKeyPQFTUKWEFNZPNN-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.37
Rot. Bonds2

About 1-N-methoxycyclobutane-1,3-diamine

1-N-methoxycyclobutane-1,3-diamine (PubChem CID 82711062) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-N-methoxycyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methoxycyclobutane-1,3-diamine
PubChem CID82711062
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-N-methoxycyclobutane-1,3-diamine
SMILESCONC1CC(N)C1
InChIInChI=1S/C5H12N2O/c1-8-7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3
InChIKeyPQFTUKWEFNZPNN-UHFFFAOYSA-N
XLogP-0.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxycyclobutanamine hydrochloride
CID 139026574
N-methoxycyclobutanamine
CID 22088026
2-N-methoxybutane-1,2-diamine
CID 54050134
N-(3-aminocyclobutyl)hydroxylamine
CID 82687652
N-ethoxycyclobutanamine
CID 82712342
N-propoxycyclobutanamine
CID 131050544
(18F)fluoromethane;methane;N-methoxycyclobutanamine
CID 158680230
1-N-methoxybutane-1,2-diamine
CID 163718960
1-N,1-N-dimethoxybutane-1,3-diamine
CID 174967026
1-N-methoxy-1-N-methylcyclobutane-1,3-diamine
CID 80561505
1-N-ethoxycyclobutane-1,3-diamine
CID 82712177
1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine
CID 130512984

Frequently Asked Questions

What is the IUPAC name of 1-N-methoxycyclobutane-1,3-diamine?
The IUPAC name of 1-N-methoxycyclobutane-1,3-diamine (CID 82711062) is 1-N-methoxycyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methoxycyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methoxycyclobutane-1,3-diamine is CONC1CC(N)C1.
What is the InChIKey of 1-N-methoxycyclobutane-1,3-diamine?
The InChIKey is PQFTUKWEFNZPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-8-7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-N-methoxycyclobutane-1,3-diamine?
1-N-methoxycyclobutane-1,3-diamine has a molecular weight of 116.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxycyclobutane-1,3-diamine is sourced from PubChem (CID 82711062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).