N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine

C15H30N2 — CID 123569859

IUPACN'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCC(C)=CC(C)=C(C)N(C)CCN(C)CC
InChIInChI=1S/C15H30N2/c1-8-13(3)12-14(4)15(5)17(7)11-10-16(6)9-2/h12H,8-11H2,1-7H3
InChIKeyUWXARGYWXOFFQK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.52
Rot. Bonds7

About N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 123569859) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID123569859
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCC(C)=CC(C)=C(C)N(C)CCN(C)CC
InChIInChI=1S/C15H30N2/c1-8-13(3)12-14(4)15(5)17(7)11-10-16(6)9-2/h12H,8-11H2,1-7H3
InChIKeyUWXARGYWXOFFQK-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(dimethyloctadienyl)diethylamine
CID 129811778
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-[(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-3-yl]-4-methylpiperazine
CID 143483055
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589100
N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589101
(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
CID 174287104
2-[1-[2-(Dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 2308346
1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785
Bis(diethylamino)fulvene
CID 129655938

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 123569859) is N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine is CCC(C)=CC(C)=C(C)N(C)CCN(C)CC.
What is the InChIKey of N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UWXARGYWXOFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-8-13(3)12-14(4)15(5)17(7)11-10-16(6)9-2/h12H,8-11H2,1-7H3.
What are the key properties of N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 123569859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).