1,2-bis(methylamino)propan-1-ol

C5H14N2O — CID 5260048

IUPAC1,2-bis(methylamino)propan-1-ol
SMILESCNC(C)C(O)NC
InChIInChI=1S/C5H14N2O/c1-4(6-2)5(8)7-3/h4-8H,1-3H3
InChIKeyXDSUEQQRQWNHGK-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.87
Rot. Bonds3

About 1,2-bis(methylamino)propan-1-ol

1,2-bis(methylamino)propan-1-ol (PubChem CID 5260048) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1,2-bis(methylamino)propan-1-ol.

Molecular Properties

Compound Name1,2-bis(methylamino)propan-1-ol
PubChem CID5260048
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1,2-bis(methylamino)propan-1-ol
SMILESCNC(C)C(O)NC
InChIInChI=1S/C5H14N2O/c1-4(6-2)5(8)7-3/h4-8H,1-3H3
InChIKeyXDSUEQQRQWNHGK-UHFFFAOYSA-N
XLogP-0.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methylamino)propan-1-ol?
The IUPAC name of 1,2-bis(methylamino)propan-1-ol (CID 5260048) is 1,2-bis(methylamino)propan-1-ol.
What is the SMILES notation for 1,2-bis(methylamino)propan-1-ol?
The canonical SMILES for 1,2-bis(methylamino)propan-1-ol is CNC(C)C(O)NC.
What is the InChIKey of 1,2-bis(methylamino)propan-1-ol?
The InChIKey is XDSUEQQRQWNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-4(6-2)5(8)7-3/h4-8H,1-3H3.
What are the key properties of 1,2-bis(methylamino)propan-1-ol?
1,2-bis(methylamino)propan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methylamino)propan-1-ol is sourced from PubChem (CID 5260048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).