cyclopropyl(methoxy)methanamine

C5H11NO — CID 130390412

IUPACcyclopropyl(methoxy)methanamine
SMILESCOC(N)C1CC1
InChIInChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3
InChIKeyADMNPXHHOLUBJF-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.33
Rot. Bonds2

About cyclopropyl(methoxy)methanamine

cyclopropyl(methoxy)methanamine (PubChem CID 130390412) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is cyclopropyl(methoxy)methanamine.

Molecular Properties

Compound Namecyclopropyl(methoxy)methanamine
PubChem CID130390412
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namecyclopropyl(methoxy)methanamine
SMILESCOC(N)C1CC1
InChIInChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3
InChIKeyADMNPXHHOLUBJF-UHFFFAOYSA-N
XLogP0.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
(1S,2S)-2-(methoxymethyl)cyclopropan-1-amine
CID 135323783
1-Methoxy-2-methylpropan-1-amine
CID 11228768
(1R)-1-methoxy-2-methylpropan-1-amine
CID 11457669
1-Methoxybutan-1-amine
CID 19381281
(1R,2S)-2-(Methoxymethyl)cyclopropanamine
CID 45116619
2-(Methoxymethyl)cyclopropan-1-amine
CID 75094614
1-Methoxy-3-methylbutan-1-amine;hydrochloride
CID 87312680
1-Methoxy-3-methylbutan-1-amine
CID 87312681
(S)-cyclopropyl(methylperoxy)methanamine
CID 88283609
rac-(1R,2R)-2-(methoxymethyl)cyclopropan-1-amine
CID 135324741
1-(Cyclopropylmethoxy)ethanamine
CID 140220611

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(methoxy)methanamine?
The IUPAC name of cyclopropyl(methoxy)methanamine (CID 130390412) is cyclopropyl(methoxy)methanamine.
What is the SMILES notation for cyclopropyl(methoxy)methanamine?
The canonical SMILES for cyclopropyl(methoxy)methanamine is COC(N)C1CC1.
What is the InChIKey of cyclopropyl(methoxy)methanamine?
The InChIKey is ADMNPXHHOLUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3.
What are the key properties of cyclopropyl(methoxy)methanamine?
cyclopropyl(methoxy)methanamine has a molecular weight of 101.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(methoxy)methanamine is sourced from PubChem (CID 130390412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).