(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine

C10H21NO — CID 89190559

IUPAC(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine
SMILESCOC/C=C\CCN(C)C(C)C
InChIInChI=1S/C10H21NO/c1-10(2)11(3)8-6-5-7-9-12-4/h5,7,10H,6,8-9H2,1-4H3/b7-5-
InChIKeyMXOKUGGGPKDZRX-ALCCZGGFSA-N
MW171.28 g/mol
LogP1.92
Rot. Bonds6

About (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine

(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine (PubChem CID 89190559) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine
PubChem CID89190559
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine
SMILESCOC/C=C\CCN(C)C(C)C
InChIInChI=1S/C10H21NO/c1-10(2)11(3)8-6-5-7-9-12-4/h5,7,10H,6,8-9H2,1-4H3/b7-5-
InChIKeyMXOKUGGGPKDZRX-ALCCZGGFSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.92
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)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine (CID 89190559) is (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine is COC/C=C\CCN(C)C(C)C.
What is the InChIKey of (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is MXOKUGGGPKDZRX-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)11(3)8-6-5-7-9-12-4/h5,7,10H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine?
(Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-N-methyl-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 89190559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).