N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine

C14H26N2 — CID 130183358

IUPACN,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine
SMILESC=C(C)/C=C\C(=C/C)N(C)CCCN(C)C
InChIInChI=1S/C14H26N2/c1-7-14(10-9-13(2)3)16(6)12-8-11-15(4)5/h7,9-10H,2,8,11-12H2,1,3-6H3/b10-9-,14-7+
InChIKeyWHTAMEPKOBXYGI-YNGKKNEWSA-N
MW222.38 g/mol
LogP2.91
Rot. Bonds7

About N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine (PubChem CID 130183358) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine
PubChem CID130183358
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine
SMILESC=C(C)/C=C\C(=C/C)N(C)CCCN(C)C
InChIInChI=1S/C14H26N2/c1-7-14(10-9-13(2)3)16(6)12-8-11-15(4)5/h7,9-10H,2,8,11-12H2,1,3-6H3/b10-9-,14-7+
InChIKeyWHTAMEPKOBXYGI-YNGKKNEWSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine (CID 130183358) is N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine is C=C(C)/C=C\C(=C/C)N(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine?
The InChIKey is WHTAMEPKOBXYGI-YNGKKNEWSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-14(10-9-13(2)3)16(6)12-8-11-15(4)5/h7,9-10H,2,8,11-12H2,1,3-6H3/b10-9-,14-7+.
What are the key properties of N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine is sourced from PubChem (CID 130183358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).