[3-methylbutyl(2-methylpropyl)amino]methanol

C10H23NO — CID 18316029

IUPAC[3-methylbutyl(2-methylpropyl)amino]methanol
SMILESCC(C)CCN(CO)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)5-6-11(8-12)7-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyAEEKDJRMFHSVME-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.94
Rot. Bonds6

About [3-methylbutyl(2-methylpropyl)amino]methanol

[3-methylbutyl(2-methylpropyl)amino]methanol (PubChem CID 18316029) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is [3-methylbutyl(2-methylpropyl)amino]methanol.

Molecular Properties

Compound Name[3-methylbutyl(2-methylpropyl)amino]methanol
PubChem CID18316029
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name[3-methylbutyl(2-methylpropyl)amino]methanol
SMILESCC(C)CCN(CO)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)5-6-11(8-12)7-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyAEEKDJRMFHSVME-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [3-methylbutyl(2-methylpropyl)amino]methanol?
The IUPAC name of [3-methylbutyl(2-methylpropyl)amino]methanol (CID 18316029) is [3-methylbutyl(2-methylpropyl)amino]methanol.
What is the SMILES notation for [3-methylbutyl(2-methylpropyl)amino]methanol?
The canonical SMILES for [3-methylbutyl(2-methylpropyl)amino]methanol is CC(C)CCN(CO)CC(C)C.
What is the InChIKey of [3-methylbutyl(2-methylpropyl)amino]methanol?
The InChIKey is AEEKDJRMFHSVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)5-6-11(8-12)7-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of [3-methylbutyl(2-methylpropyl)amino]methanol?
[3-methylbutyl(2-methylpropyl)amino]methanol has a molecular weight of 173.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylbutyl(2-methylpropyl)amino]methanol is sourced from PubChem (CID 18316029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).