3-[4-(methylamino)butylamino]propan-1-ol

C8H20N2O — CID 50925415

IUPAC3-[4-(methylamino)butylamino]propan-1-ol
SMILESCNCCCCNCCCO
InChIInChI=1S/C8H20N2O/c1-9-5-2-3-6-10-7-4-8-11/h9-11H,2-8H2,1H3
InChIKeyIKIXWQNLAUNJQZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.04
Rot. Bonds8

About 3-[4-(methylamino)butylamino]propan-1-ol

3-[4-(methylamino)butylamino]propan-1-ol (PubChem CID 50925415) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-[4-(methylamino)butylamino]propan-1-ol.

Molecular Properties

Compound Name3-[4-(methylamino)butylamino]propan-1-ol
PubChem CID50925415
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3-[4-(methylamino)butylamino]propan-1-ol
SMILESCNCCCCNCCCO
InChIInChI=1S/C8H20N2O/c1-9-5-2-3-6-10-7-4-8-11/h9-11H,2-8H2,1H3
InChIKeyIKIXWQNLAUNJQZ-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)butylamino]propan-1-ol?
The IUPAC name of 3-[4-(methylamino)butylamino]propan-1-ol (CID 50925415) is 3-[4-(methylamino)butylamino]propan-1-ol.
What is the SMILES notation for 3-[4-(methylamino)butylamino]propan-1-ol?
The canonical SMILES for 3-[4-(methylamino)butylamino]propan-1-ol is CNCCCCNCCCO.
What is the InChIKey of 3-[4-(methylamino)butylamino]propan-1-ol?
The InChIKey is IKIXWQNLAUNJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-9-5-2-3-6-10-7-4-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 3-[4-(methylamino)butylamino]propan-1-ol?
3-[4-(methylamino)butylamino]propan-1-ol has a molecular weight of 160.26 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)butylamino]propan-1-ol is sourced from PubChem (CID 50925415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).