N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine

C12H21NO2 — CID 123221093

IUPACN,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine
SMILESC=C=CC(=CC)N(CCOC)CCOC
InChIInChI=1S/C12H21NO2/c1-5-7-12(6-2)13(8-10-14-3)9-11-15-4/h6-7H,1,8-11H2,2-4H3
InChIKeyNVICDJNIGBNEQH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds8

About N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine

N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine (PubChem CID 123221093) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine
PubChem CID123221093
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine
SMILESC=C=CC(=CC)N(CCOC)CCOC
InChIInChI=1S/C12H21NO2/c1-5-7-12(6-2)13(8-10-14-3)9-11-15-4/h6-7H,1,8-11H2,2-4H3
InChIKeyNVICDJNIGBNEQH-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-N-(2-ethoxyethyl)-3-fluoro-N-methylhepta-1,3,5-trien-4-amine
CID 143588785
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751
4-[(3E)-penta-1,3-dien-3-yl]morpholine
CID 22149528
(3E,5Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)hepta-1,3,5-trien-4-amine
CID 89426190
4-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 90153979
4-Hexa-2,4-dien-3-ylmorpholine
CID 90725635
4-(5-Methylhexa-2,4-dien-3-yl)morpholine
CID 90845057
4-Penta-1,3-dien-3-ylmorpholine
CID 91309706
(3E)-N-(2-methoxyethyl)-N-methylpenta-1,3-dien-3-amine
CID 117985759
4-Penta-1,3-dien-2-ylmorpholine
CID 123223171
N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine
CID 123377125
4-bromo-N-(2-methoxyethyl)-N-methylhexa-2,4-dien-2-amine
CID 123680902

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine (CID 123221093) is N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine is C=C=CC(=CC)N(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine?
The InChIKey is NVICDJNIGBNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-12(6-2)13(8-10-14-3)9-11-15-4/h6-7H,1,8-11H2,2-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine?
N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine has a molecular weight of 211.30 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine is sourced from PubChem (CID 123221093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).