3-[1-(methylamino)ethenoxy]propan-1-amine

C6H14N2O — CID 126663440

IUPAC3-[1-(methylamino)ethenoxy]propan-1-amine
SMILESC=C(NC)OCCCN
InChIInChI=1S/C6H14N2O/c1-6(8-2)9-5-3-4-7/h8H,1,3-5,7H2,2H3
InChIKeyPTTNVWWYKPDMQE-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.04
Rot. Bonds5

About 3-[1-(methylamino)ethenoxy]propan-1-amine

3-[1-(methylamino)ethenoxy]propan-1-amine (PubChem CID 126663440) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-[1-(methylamino)ethenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[1-(methylamino)ethenoxy]propan-1-amine
PubChem CID126663440
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-[1-(methylamino)ethenoxy]propan-1-amine
SMILESC=C(NC)OCCCN
InChIInChI=1S/C6H14N2O/c1-6(8-2)9-5-3-4-7/h8H,1,3-5,7H2,2H3
InChIKeyPTTNVWWYKPDMQE-UHFFFAOYSA-N
XLogP0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropoxy)ethenol
CID 176659165
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
ethane;3-[2-(methylamino)ethoxy]propan-1-amine
CID 170614807
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
CID 88780481
4-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]oxybutan-1-amine
CID 89358013
3-aminopropyl 2-methylpropanoate
CID 59078098
3-hydroperoxypropan-1-amine
CID 90707028
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-aminopropyl propanoate;hydrochloride
CID 91621397
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
azane;3-methoxypropan-1-amine
CID 172866087

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethenoxy]propan-1-amine?
The IUPAC name of 3-[1-(methylamino)ethenoxy]propan-1-amine (CID 126663440) is 3-[1-(methylamino)ethenoxy]propan-1-amine.
What is the SMILES notation for 3-[1-(methylamino)ethenoxy]propan-1-amine?
The canonical SMILES for 3-[1-(methylamino)ethenoxy]propan-1-amine is C=C(NC)OCCCN.
What is the InChIKey of 3-[1-(methylamino)ethenoxy]propan-1-amine?
The InChIKey is PTTNVWWYKPDMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(8-2)9-5-3-4-7/h8H,1,3-5,7H2,2H3.
What are the key properties of 3-[1-(methylamino)ethenoxy]propan-1-amine?
3-[1-(methylamino)ethenoxy]propan-1-amine has a molecular weight of 130.19 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethenoxy]propan-1-amine is sourced from PubChem (CID 126663440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).