(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine

C11H22N2O — CID 143245749

IUPAC(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine
SMILESC/C=C\C(N)=C(/CC)OCCN(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-10(12)11(6-2)14-9-8-13(3)4/h5,7H,6,8-9,12H2,1-4H3/b7-5-,11-10-
InChIKeyLHRREXNZCPUMFY-YLRXWAGNSA-N
MW198.31 g/mol
LogP1.72
Rot. Bonds6

About (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine

(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine (PubChem CID 143245749) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine
PubChem CID143245749
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine
SMILESC/C=C\C(N)=C(/CC)OCCN(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-10(12)11(6-2)14-9-8-13(3)4/h5,7H,6,8-9,12H2,1-4H3/b7-5-,11-10-
InChIKeyLHRREXNZCPUMFY-YLRXWAGNSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis[2-(dimethylamino)ethoxy]methanethione
CID 88923851
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
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(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
CID 142864476
4-O-[2-(dimethylamino)ethyl] 1-O-hexyl (E)-but-2-enedioate
CID 91693812
4-O-[2-(dimethylamino)ethyl] 1-O-octyl (E)-but-2-enedioate
CID 91693814
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
CID 138613612
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
CID 174335600
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
1-O-[2-(dimethylamino)ethyl] 4-O-propan-2-yl but-2-enedioate
CID 85365439

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine (CID 143245749) is (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine is C/C=C\C(N)=C(/CC)OCCN(C)C.
What is the InChIKey of (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine?
The InChIKey is LHRREXNZCPUMFY-YLRXWAGNSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-10(12)11(6-2)14-9-8-13(3)4/h5,7H,6,8-9,12H2,1-4H3/b7-5-,11-10-.
What are the key properties of (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine?
(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine has a molecular weight of 198.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine is sourced from PubChem (CID 143245749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).