N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane

C20H44N2O2 — CID 142989790

IUPACN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane
SMILESCC.CC/C(=C\C=C(C)C)OCCCN(C)CCNC.CCOC
InChIInChI=1S/C15H30N2O.C3H8O.C2H6/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4;1-3-4-2;1-2/h8-9,16H,6-7,10-13H2,1-5H3;3H2,1-2H3;1-2H3/b15-9+;;
InChIKeyZFENSWGHZCAZFW-CBNWXSEKSA-N
MW344.58 g/mol
LogP4.48
Rot. Bonds11

About N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane

N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane (PubChem CID 142989790) has the molecular formula C20H44N2O2 and a molecular weight of 344.58 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane
PubChem CID142989790
Molecular FormulaC20H44N2O2
Molecular Weight344.58 g/mol
Exact Mass344.34
IUPAC NameN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane
SMILESCC.CC/C(=C\C=C(C)C)OCCCN(C)CCNC.CCOC
InChIInChI=1S/C15H30N2O.C3H8O.C2H6/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4;1-3-4-2;1-2/h8-9,16H,6-7,10-13H2,1-5H3;3H2,1-2H3;1-2H3/b15-9+;;
InChIKeyZFENSWGHZCAZFW-CBNWXSEKSA-N
XLogP4.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
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

4-[3-(Methylamino)propoxy]-2-methylidenepent-3-en-1-amine
CID 123647646
N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
CID 142217439
2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine
CID 143236961
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
CID 142989791

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane?
The IUPAC name of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane (CID 142989790) is N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane.
What is the SMILES notation for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane?
The canonical SMILES for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane is CC.CC/C(=C\C=C(C)C)OCCCN(C)CCNC.CCOC.
What is the InChIKey of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane?
The InChIKey is ZFENSWGHZCAZFW-CBNWXSEKSA-N. The full InChI is InChI=1S/C15H30N2O.C3H8O.C2H6/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4;1-3-4-2;1-2/h8-9,16H,6-7,10-13H2,1-5H3;3H2,1-2H3;1-2H3/b15-9+;;.
What are the key properties of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane?
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane has a molecular weight of 344.58 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane is sourced from PubChem (CID 142989790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).