N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine

C15H28N2 — CID 155467952

IUPACN'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C/CC/C=C/C)N(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-6-8-9-10-11-12-15(3)17(7-2)14-13-16(4)5/h6,8,11-12H,3,7,9-10,13-14H2,1-2,4-5H3/b8-6+,12-11+
InChIKeyUDWUESISTZHXCR-ZTUQJBCJSA-N
MW236.40 g/mol
LogP3.30
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine (PubChem CID 155467952) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine
PubChem CID155467952
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C/CC/C=C/C)N(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-6-8-9-10-11-12-15(3)17(7-2)14-13-16(4)5/h6,8,11-12H,3,7,9-10,13-14H2,1-2,4-5H3/b8-6+,12-11+
InChIKeyUDWUESISTZHXCR-ZTUQJBCJSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine (CID 155467952) is N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine is C=C(/C=C/CC/C=C/C)N(CC)CCN(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine?
The InChIKey is UDWUESISTZHXCR-ZTUQJBCJSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-8-9-10-11-12-15(3)17(7-2)14-13-16(4)5/h6,8,11-12H,3,7,9-10,13-14H2,1-2,4-5H3/b8-6+,12-11+.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[(3E,7E)-nona-1,3,7-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 155467952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).