N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine

C14H26N2 — CID 139516197

IUPACN'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(C)/C=C(C)\C(=C\C)N(C)CCN(C)C
InChIInChI=1S/C14H26N2/c1-8-14(13(4)11-12(2)3)16(7)10-9-15(5)6/h8,11H,2,9-10H2,1,3-7H3/b13-11-,14-8-
InChIKeyZZBHOQVUGSDDPR-ZLQYQGLLSA-N
MW222.38 g/mol
LogP2.91
Rot. Bonds6

About N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 139516197) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID139516197
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(C)/C=C(C)\C(=C\C)N(C)CCN(C)C
InChIInChI=1S/C14H26N2/c1-8-14(13(4)11-12(2)3)16(7)10-9-15(5)6/h8,11H,2,9-10H2,1,3-7H3/b13-11-,14-8-
InChIKeyZZBHOQVUGSDDPR-ZLQYQGLLSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 139516197) is N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine is C=C(C)/C=C(C)\C(=C\C)N(C)CCN(C)C.
What is the InChIKey of N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is ZZBHOQVUGSDDPR-ZLQYQGLLSA-N. The full InChI is InChI=1S/C14H26N2/c1-8-14(13(4)11-12(2)3)16(7)10-9-15(5)6/h8,11H,2,9-10H2,1,3-7H3/b13-11-,14-8-.
What are the key properties of N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 139516197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).