(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine

C10H17NO — CID 153333986

IUPAC(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)NCCOC
InChIInChI=1S/C10H17NO/c1-9(2)5-6-10(3)11-7-8-12-4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5-
InChIKeyANRZCKSICPGPBX-WAYWQWQTSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds6

About (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine

(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine (PubChem CID 153333986) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine
PubChem CID153333986
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)NCCOC
InChIInChI=1S/C10H17NO/c1-9(2)5-6-10(3)11-7-8-12-4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5-
InChIKeyANRZCKSICPGPBX-WAYWQWQTSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine (CID 153333986) is (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)NCCOC.
What is the InChIKey of (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine?
The InChIKey is ANRZCKSICPGPBX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-6-10(3)11-7-8-12-4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5-.
What are the key properties of (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine?
(3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-methoxyethyl)-5-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 153333986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).