3-[(E)-propylideneamino]oxypropan-1-amine

C6H14N2O — CID 58685004

IUPAC3-[(E)-propylideneamino]oxypropan-1-amine
SMILESCC/C=N/OCCCN
InChIInChI=1S/C6H14N2O/c1-2-5-8-9-6-3-4-7/h5H,2-4,6-7H2,1H3/b8-5+
InChIKeyGKTNXHOTQWQPLZ-VMPITWQZSA-N
MW130.19 g/mol
LogP0.75
Rot. Bonds5

About 3-[(E)-propylideneamino]oxypropan-1-amine

3-[(E)-propylideneamino]oxypropan-1-amine (PubChem CID 58685004) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-[(E)-propylideneamino]oxypropan-1-amine.

Molecular Properties

Compound Name3-[(E)-propylideneamino]oxypropan-1-amine
PubChem CID58685004
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-[(E)-propylideneamino]oxypropan-1-amine
SMILESCC/C=N/OCCCN
InChIInChI=1S/C6H14N2O/c1-2-5-8-9-6-3-4-7/h5H,2-4,6-7H2,1H3/b8-5+
InChIKeyGKTNXHOTQWQPLZ-VMPITWQZSA-N
XLogP0.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-ethylideneamino]oxyethanamine
CID 158601365
(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
CID 58684278
(E)-N-butoxy-2-chloroethanimine
CID 18926175
(E)-N-pentoxypentan-1-imine
CID 18714719
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(propoxymethoxy)propan-1-amine
CID 87914264

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-propylideneamino]oxypropan-1-amine?
The IUPAC name of 3-[(E)-propylideneamino]oxypropan-1-amine (CID 58685004) is 3-[(E)-propylideneamino]oxypropan-1-amine.
What is the SMILES notation for 3-[(E)-propylideneamino]oxypropan-1-amine?
The canonical SMILES for 3-[(E)-propylideneamino]oxypropan-1-amine is CC/C=N/OCCCN.
What is the InChIKey of 3-[(E)-propylideneamino]oxypropan-1-amine?
The InChIKey is GKTNXHOTQWQPLZ-VMPITWQZSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-5-8-9-6-3-4-7/h5H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of 3-[(E)-propylideneamino]oxypropan-1-amine?
3-[(E)-propylideneamino]oxypropan-1-amine has a molecular weight of 130.19 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-propylideneamino]oxypropan-1-amine is sourced from PubChem (CID 58685004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).