N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine

C12H20N2 — CID 143497536

IUPACN'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine
SMILESC=C(/C=C\C#CC)N(CC)CCNC
InChIInChI=1S/C12H20N2/c1-5-7-8-9-12(3)14(6-2)11-10-13-4/h8-9,13H,3,6,10-11H2,1-2,4H3/b9-8-
InChIKeyFWQCCLINXMBUDG-HJWRWDBZSA-N
MW192.31 g/mol
LogP1.62
Rot. Bonds6

About N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine

N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine (PubChem CID 143497536) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine
PubChem CID143497536
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine
SMILESC=C(/C=C\C#CC)N(CC)CCNC
InChIInChI=1S/C12H20N2/c1-5-7-8-9-12(3)14(6-2)11-10-13-4/h8-9,13H,3,6,10-11H2,1-2,4H3/b9-8-
InChIKeyFWQCCLINXMBUDG-HJWRWDBZSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-buta-1,3-dien-2-yl-N'-[2-[buta-1,3-dien-2-yl-[2-(buta-1,3-dien-2-ylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 134546814
2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine
CID 163900004
N'-ethyl-N-methyl-N'-(2-methylpent-2-en-3-yl)ethane-1,2-diamine
CID 143446025
N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine
CID 143071611
2-amino-N-ethyl-N-[2-(methylamino)ethyl]acetamide
CID 145342437
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124
ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
CID 144726995

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine (CID 143497536) is N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine is C=C(/C=C\C#CC)N(CC)CCNC.
What is the InChIKey of N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine?
The InChIKey is FWQCCLINXMBUDG-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-9-12(3)14(6-2)11-10-13-4/h8-9,13H,3,6,10-11H2,1-2,4H3/b9-8-.
What are the key properties of N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine?
N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 143497536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).