N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

C16H30N2O2 — CID 142099600

IUPACN,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC(C)C
InChIInChI=1S/C16H30N2O2/c1-14(2)19-12-13-20-16(4)9-8-15(3)18(7)11-10-17(5)6/h8-9,14H,3-4,10-13H2,1-2,5-7H3/b9-8-
InChIKeyBSPAPTMHDCTCCE-HJWRWDBZSA-N
MW282.43 g/mol
LogP2.51
Rot. Bonds11

About N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (PubChem CID 142099600) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
PubChem CID142099600
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC(C)C
InChIInChI=1S/C16H30N2O2/c1-14(2)19-12-13-20-16(4)9-8-15(3)18(7)11-10-17(5)6/h8-9,14H,3-4,10-13H2,1-2,5-7H3/b9-8-
InChIKeyBSPAPTMHDCTCCE-HJWRWDBZSA-N
XLogP2.51
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
N-[2-[[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N,N'-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 162580850
2,2,2-trifluoro-N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylethanamine
CID 162582991
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099639
N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 143046244
ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane
CID 143046247
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143767738
1-N-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl]-1-N-methylprop-2-ene-1,2-diamine
CID 165137621

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (CID 142099600) is N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is C=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The InChIKey is BSPAPTMHDCTCCE-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2)19-12-13-20-16(4)9-8-15(3)18(7)11-10-17(5)6/h8-9,14H,3-4,10-13H2,1-2,5-7H3/b9-8-.
What are the key properties of N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142099600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).