(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol

C8H17NO — CID 55298972

IUPAC(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@H](CC)NC
InChIInChI=1S/C8H17NO/c1-5-7(9-4)8(10)6(2)3/h7-10H,2,5H2,1,3-4H3/t7-,8+/m0/s1
InChIKeyWIKKYHCVHOAIFM-JGVFFNPUSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds4

About (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol

(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol (PubChem CID 55298972) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol
PubChem CID55298972
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@H](CC)NC
InChIInChI=1S/C8H17NO/c1-5-7(9-4)8(10)6(2)3/h7-10H,2,5H2,1,3-4H3/t7-,8+/m0/s1
InChIKeyWIKKYHCVHOAIFM-JGVFFNPUSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol?
The IUPAC name of (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol (CID 55298972) is (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol.
What is the SMILES notation for (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol?
The canonical SMILES for (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol is C=C(C)[C@@H](O)[C@H](CC)NC.
What is the InChIKey of (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol?
The InChIKey is WIKKYHCVHOAIFM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-7(9-4)8(10)6(2)3/h7-10H,2,5H2,1,3-4H3/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol?
(3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-methyl-4-(methylamino)hex-1-en-3-ol is sourced from PubChem (CID 55298972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).