4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol

C12H27NO — CID 79355880

IUPAC4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(CC)C(C)NCCC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-11(7-2)10(3)13-9-8-12(4,5)14/h10-11,13-14H,6-9H2,1-5H3
InChIKeyRLGKRGFXUOVBQS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds7

About 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol

4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol (PubChem CID 79355880) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
PubChem CID79355880
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(CC)C(C)NCCC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-11(7-2)10(3)13-9-8-12(4,5)14/h10-11,13-14H,6-9H2,1-5H3
InChIKeyRLGKRGFXUOVBQS-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol (CID 79355880) is 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol is CCC(CC)C(C)NCCC(C)(C)O.
What is the InChIKey of 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol?
The InChIKey is RLGKRGFXUOVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-11(7-2)10(3)13-9-8-12(4,5)14/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol?
4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).