3-methyl-2-(2-methylpropylamino)butan-1-ol

C9H21NO — CID 4712342

IUPAC3-methyl-2-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNC(CO)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)5-10-9(6-11)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyPHGZXIYRPWHSHD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.25
Rot. Bonds5

About 3-methyl-2-(2-methylpropylamino)butan-1-ol

3-methyl-2-(2-methylpropylamino)butan-1-ol (PubChem CID 4712342) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropylamino)butan-1-ol
PubChem CID4712342
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methyl-2-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNC(CO)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)5-10-9(6-11)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyPHGZXIYRPWHSHD-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-methylpropylamino)butan-1-ol (CID 4712342) is 3-methyl-2-(2-methylpropylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-methylpropylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-methylpropylamino)butan-1-ol is CC(C)CNC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropylamino)butan-1-ol?
The InChIKey is PHGZXIYRPWHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)5-10-9(6-11)8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 3-methyl-2-(2-methylpropylamino)butan-1-ol?
3-methyl-2-(2-methylpropylamino)butan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropylamino)butan-1-ol is sourced from PubChem (CID 4712342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).