(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine

C10H21NO2 — CID 155228157

IUPAC(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
SMILESCOC/C=C(/CCN)CC(C)OC
InChIInChI=1S/C10H21NO2/c1-9(13-3)8-10(4-6-11)5-7-12-2/h5,9H,4,6-8,11H2,1-3H3/b10-5-
InChIKeyOBRCPTAQQRKEIK-YHYXMXQVSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds7

About (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine

(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine (PubChem CID 155228157) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine.

Molecular Properties

Compound Name(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
PubChem CID155228157
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
SMILESCOC/C=C(/CCN)CC(C)OC
InChIInChI=1S/C10H21NO2/c1-9(13-3)8-10(4-6-11)5-7-12-2/h5,9H,4,6-8,11H2,1-3H3/b10-5-
InChIKeyOBRCPTAQQRKEIK-YHYXMXQVSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine?
The IUPAC name of (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine (CID 155228157) is (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine.
What is the SMILES notation for (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine?
The canonical SMILES for (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine is COC/C=C(/CCN)CC(C)OC.
What is the InChIKey of (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine?
The InChIKey is OBRCPTAQQRKEIK-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(13-3)8-10(4-6-11)5-7-12-2/h5,9H,4,6-8,11H2,1-3H3/b10-5-.
What are the key properties of (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine?
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine is sourced from PubChem (CID 155228157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).