(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol

C8H17NO — CID 174019074

IUPAC(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol
SMILESC=CN[C@@H](CC)[C@H](C)CO
InChIInChI=1S/C8H17NO/c1-4-8(9-5-2)7(3)6-10/h5,7-10H,2,4,6H2,1,3H3/t7-,8+/m1/s1
InChIKeyRZMMGNZDRODOIZ-SFYZADRCSA-N
MW143.23 g/mol
LogP1.13
Rot. Bonds5

About (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol

(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol (PubChem CID 174019074) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol
PubChem CID174019074
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol
SMILESC=CN[C@@H](CC)[C@H](C)CO
InChIInChI=1S/C8H17NO/c1-4-8(9-5-2)7(3)6-10/h5,7-10H,2,4,6H2,1,3H3/t7-,8+/m1/s1
InChIKeyRZMMGNZDRODOIZ-SFYZADRCSA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol?
The IUPAC name of (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol (CID 174019074) is (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol.
What is the SMILES notation for (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol?
The canonical SMILES for (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol is C=CN[C@@H](CC)[C@H](C)CO.
What is the InChIKey of (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol?
The InChIKey is RZMMGNZDRODOIZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(9-5-2)7(3)6-10/h5,7-10H,2,4,6H2,1,3H3/t7-,8+/m1/s1.
What are the key properties of (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol?
(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 174019074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).