N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine

C17H32N2O — CID 149478274

IUPACN,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
SMILESC=CC(=C)CC/C=C(/C)COCCN(C)CCN(C)C
InChIInChI=1S/C17H32N2O/c1-7-16(2)9-8-10-17(3)15-20-14-13-19(6)12-11-18(4)5/h7,10H,1-2,8-9,11-15H2,3-6H3/b17-10-
InChIKeyZCSVSLJXXCIANF-YVLHZVERSA-N
MW280.46 g/mol
LogP2.97
Rot. Bonds12

About N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine (PubChem CID 149478274) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
PubChem CID149478274
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
SMILESC=CC(=C)CC/C=C(/C)COCCN(C)CCN(C)C
InChIInChI=1S/C17H32N2O/c1-7-16(2)9-8-10-17(3)15-20-14-13-19(6)12-11-18(4)5/h7,10H,1-2,8-9,11-15H2,3-6H3/b17-10-
InChIKeyZCSVSLJXXCIANF-YVLHZVERSA-N
XLogP2.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine (CID 149478274) is N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine is C=CC(=C)CC/C=C(/C)COCCN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?
The InChIKey is ZCSVSLJXXCIANF-YVLHZVERSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-16(2)9-8-10-17(3)15-20-14-13-19(6)12-11-18(4)5/h7,10H,1-2,8-9,11-15H2,3-6H3/b17-10-.
What are the key properties of N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 149478274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).