(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol

C10H23NO — CID 11788561

IUPAC(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)9(6-12)11-7-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyUNTNHAWPGAGDRA-SECBINFHSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds4

About (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol

(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol (PubChem CID 11788561) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
PubChem CID11788561
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)9(6-12)11-7-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyUNTNHAWPGAGDRA-SECBINFHSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol (CID 11788561) is (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol?
The InChIKey is UNTNHAWPGAGDRA-SECBINFHSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)9(6-12)11-7-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol?
(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 11788561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).