3-[[ethyl(propyl)amino]methylimino]butan-1-amine

C10H23N3 — CID 123490871

IUPAC3-[[ethyl(propyl)amino]methylimino]butan-1-amine
SMILESCCCN(CC)CN=C(C)CCN
InChIInChI=1S/C10H23N3/c1-4-8-13(5-2)9-12-10(3)6-7-11/h4-9,11H2,1-3H3
InChIKeyPVYYPHGNPOZXQJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.49
Rot. Bonds7

About 3-[[ethyl(propyl)amino]methylimino]butan-1-amine

3-[[ethyl(propyl)amino]methylimino]butan-1-amine (PubChem CID 123490871) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[[ethyl(propyl)amino]methylimino]butan-1-amine.

Molecular Properties

Compound Name3-[[ethyl(propyl)amino]methylimino]butan-1-amine
PubChem CID123490871
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-[[ethyl(propyl)amino]methylimino]butan-1-amine
SMILESCCCN(CC)CN=C(C)CCN
InChIInChI=1S/C10H23N3/c1-4-8-13(5-2)9-12-10(3)6-7-11/h4-9,11H2,1-3H3
InChIKeyPVYYPHGNPOZXQJ-UHFFFAOYSA-N
XLogP1.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(propyl)amino]methylimino]butan-1-amine?
The IUPAC name of 3-[[ethyl(propyl)amino]methylimino]butan-1-amine (CID 123490871) is 3-[[ethyl(propyl)amino]methylimino]butan-1-amine.
What is the SMILES notation for 3-[[ethyl(propyl)amino]methylimino]butan-1-amine?
The canonical SMILES for 3-[[ethyl(propyl)amino]methylimino]butan-1-amine is CCCN(CC)CN=C(C)CCN.
What is the InChIKey of 3-[[ethyl(propyl)amino]methylimino]butan-1-amine?
The InChIKey is PVYYPHGNPOZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-8-13(5-2)9-12-10(3)6-7-11/h4-9,11H2,1-3H3.
What are the key properties of 3-[[ethyl(propyl)amino]methylimino]butan-1-amine?
3-[[ethyl(propyl)amino]methylimino]butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(propyl)amino]methylimino]butan-1-amine is sourced from PubChem (CID 123490871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).