(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine

C9H19NO — CID 177009627

IUPAC(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine
SMILESC/C=C\[C@@H]([C@H](C)OC)N(C)C
InChIInChI=1S/C9H19NO/c1-6-7-9(10(3)4)8(2)11-5/h6-9H,1-5H3/b7-6-/t8-,9-/m0/s1
InChIKeyFBRNOQBXRNDQCW-YYRDVDDBSA-N
MW157.26 g/mol
LogP1.53
Rot. Bonds4

About (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine

(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine (PubChem CID 177009627) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine
PubChem CID177009627
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine
SMILESC/C=C\[C@@H]([C@H](C)OC)N(C)C
InChIInChI=1S/C9H19NO/c1-6-7-9(10(3)4)8(2)11-5/h6-9H,1-5H3/b7-6-/t8-,9-/m0/s1
InChIKeyFBRNOQBXRNDQCW-YYRDVDDBSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine?
The IUPAC name of (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine (CID 177009627) is (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine.
What is the SMILES notation for (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine?
The canonical SMILES for (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine is C/C=C\[C@@H]([C@H](C)OC)N(C)C.
What is the InChIKey of (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine?
The InChIKey is FBRNOQBXRNDQCW-YYRDVDDBSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-7-9(10(3)4)8(2)11-5/h6-9H,1-5H3/b7-6-/t8-,9-/m0/s1.
What are the key properties of (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine?
(Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3S)-2-methoxy-N,N-dimethylhex-4-en-3-amine is sourced from PubChem (CID 177009627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).