3-[bis(2-methylpropyl)amino]propan-1-ol

C11H25NO — CID 3030978

IUPAC3-[bis(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(CCCO)CC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyHEZRKOJUMPKKBN-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.98
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]propan-1-ol

3-[bis(2-methylpropyl)amino]propan-1-ol (PubChem CID 3030978) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]propan-1-ol
PubChem CID3030978
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-[bis(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(CCCO)CC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyHEZRKOJUMPKKBN-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(2-methylpropyl)amino]propan-1-ol (CID 3030978) is 3-[bis(2-methylpropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]propan-1-ol is CC(C)CN(CCCO)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]propan-1-ol?
The InChIKey is HEZRKOJUMPKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]propan-1-ol?
3-[bis(2-methylpropyl)amino]propan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]propan-1-ol is sourced from PubChem (CID 3030978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).