3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol

C11H26N2O — CID 62009179

IUPAC3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol
SMILESCCCN(CCCO)C(C)(CC)CN
InChIInChI=1S/C11H26N2O/c1-4-7-13(8-6-9-14)11(3,5-2)10-12/h14H,4-10,12H2,1-3H3
InChIKeyAIGOJZGXMKGCAP-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.21
Rot. Bonds8

About 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol

3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol (PubChem CID 62009179) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol
PubChem CID62009179
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol
SMILESCCCN(CCCO)C(C)(CC)CN
InChIInChI=1S/C11H26N2O/c1-4-7-13(8-6-9-14)11(3,5-2)10-12/h14H,4-10,12H2,1-3H3
InChIKeyAIGOJZGXMKGCAP-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol?
The IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol (CID 62009179) is 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol?
The canonical SMILES for 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol is CCCN(CCCO)C(C)(CC)CN.
What is the InChIKey of 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol?
The InChIKey is AIGOJZGXMKGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-7-13(8-6-9-14)11(3,5-2)10-12/h14H,4-10,12H2,1-3H3.
What are the key properties of 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol?
3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylbutan-2-yl)-propylamino]propan-1-ol is sourced from PubChem (CID 62009179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).