(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine

C11H21NO — CID 135234078

IUPAC(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
SMILESC=C/C=C\C(C)(OC)N(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9-10-11(4,13-5)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/b10-9-
InChIKeyIPIZNVWHSSTDIC-KTKRTIGZSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds6

About (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine

(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine (PubChem CID 135234078) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
PubChem CID135234078
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
SMILESC=C/C=C\C(C)(OC)N(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9-10-11(4,13-5)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/b10-9-
InChIKeyIPIZNVWHSSTDIC-KTKRTIGZSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine (CID 135234078) is (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine is C=C/C=C\C(C)(OC)N(CC)CC.
What is the InChIKey of (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine?
The InChIKey is IPIZNVWHSSTDIC-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9-10-11(4,13-5)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/b10-9-.
What are the key properties of (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine?
(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine is sourced from PubChem (CID 135234078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).