N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine

C15H28N2O — CID 143011585

IUPACN'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C(=C(\C=C/C)OC(C)CC)N(C)CCNC
InChIInChI=1S/C15H28N2O/c1-7-10-15(18-13(4)8-2)14(9-3)17(6)12-11-16-5/h7,9-10,13,16H,3,8,11-12H2,1-2,4-6H3/b10-7-,15-14-
InChIKeySBYFSCPESOYNCY-XOYUGBAHSA-N
MW252.40 g/mol
LogP2.93
Rot. Bonds9

About N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 143011585) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID143011585
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C(=C(\C=C/C)OC(C)CC)N(C)CCNC
InChIInChI=1S/C15H28N2O/c1-7-10-15(18-13(4)8-2)14(9-3)17(6)12-11-16-5/h7,9-10,13,16H,3,8,11-12H2,1-2,4-6H3/b10-7-,15-14-
InChIKeySBYFSCPESOYNCY-XOYUGBAHSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine (CID 143011585) is N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine is C=C/C(=C(\C=C/C)OC(C)CC)N(C)CCNC.
What is the InChIKey of N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SBYFSCPESOYNCY-XOYUGBAHSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-10-15(18-13(4)8-2)14(9-3)17(6)12-11-16-5/h7,9-10,13,16H,3,8,11-12H2,1-2,4-6H3/b10-7-,15-14-.
What are the key properties of N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5Z)-4-butan-2-yloxyhepta-1,3,5-trien-3-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 143011585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).