azane;3-methoxypropan-1-amine

C4H14N2O — CID 172866087

IUPACazane;3-methoxypropan-1-amine
SMILESCOCCCN.N
InChIInChI=1S/C4H11NO.H3N/c1-6-4-2-3-5;/h2-5H2,1H3;1H3
InChIKeyZZYOXVYWHYWSSG-UHFFFAOYSA-N
MW106.17 g/mol
LogP0.14
Rot. Bonds3

About azane;3-methoxypropan-1-amine

azane;3-methoxypropan-1-amine (PubChem CID 172866087) has the molecular formula C4H14N2O and a molecular weight of 106.17 g/mol. Its IUPAC name is azane;3-methoxypropan-1-amine.

Molecular Properties

Compound Nameazane;3-methoxypropan-1-amine
PubChem CID172866087
Molecular FormulaC4H14N2O
Molecular Weight106.17 g/mol
Exact Mass106.11
IUPAC Nameazane;3-methoxypropan-1-amine
SMILESCOCCCN.N
InChIInChI=1S/C4H11NO.H3N/c1-6-4-2-3-5;/h2-5H2,1H3;1H3
InChIKeyZZYOXVYWHYWSSG-UHFFFAOYSA-N
XLogP0.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
methane;7-methoxyheptan-1-amine
CID 160693233
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
CID 87425929
CID 87425929
4-(3-methoxypropylsulfanyl)butan-1-amine
CID 63856674
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
CID 142385980
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276

Frequently Asked Questions

What is the IUPAC name of azane;3-methoxypropan-1-amine?
The IUPAC name of azane;3-methoxypropan-1-amine (CID 172866087) is azane;3-methoxypropan-1-amine.
What is the SMILES notation for azane;3-methoxypropan-1-amine?
The canonical SMILES for azane;3-methoxypropan-1-amine is COCCCN.N.
What is the InChIKey of azane;3-methoxypropan-1-amine?
The InChIKey is ZZYOXVYWHYWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.H3N/c1-6-4-2-3-5;/h2-5H2,1H3;1H3.
What are the key properties of azane;3-methoxypropan-1-amine?
azane;3-methoxypropan-1-amine has a molecular weight of 106.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methoxypropan-1-amine is sourced from PubChem (CID 172866087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).