3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol

C11H25NO — CID 66089447

IUPAC3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
SMILESCCC(C)C(C)NCC(C)CCO
InChIInChI=1S/C11H25NO/c1-5-10(3)11(4)12-8-9(2)6-7-13/h9-13H,5-8H2,1-4H3
InChIKeyJCZVIVZYLGRSFZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds7

About 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol

3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol (PubChem CID 66089447) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
PubChem CID66089447
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
SMILESCCC(C)C(C)NCC(C)CCO
InChIInChI=1S/C11H25NO/c1-5-10(3)11(4)12-8-9(2)6-7-13/h9-13H,5-8H2,1-4H3
InChIKeyJCZVIVZYLGRSFZ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol (CID 66089447) is 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol is CCC(C)C(C)NCC(C)CCO.
What is the InChIKey of 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol?
The InChIKey is JCZVIVZYLGRSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(3)11(4)12-8-9(2)6-7-13/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol?
3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol is sourced from PubChem (CID 66089447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).