(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine

C11H23N3 — CID 178081175

IUPAC(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
SMILESC=C(N)CC/C(=C\C)N(C)CCNC
InChIInChI=1S/C11H23N3/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5,13H,2,6-9,12H2,1,3-4H3/b11-5+
InChIKeyQLFDURLDKLCZNV-VZUCSPMQSA-N
MW197.33 g/mol
LogP1.29
Rot. Bonds7

About (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine

(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine (PubChem CID 178081175) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine.

Molecular Properties

Compound Name(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
PubChem CID178081175
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
SMILESC=C(N)CC/C(=C\C)N(C)CCNC
InChIInChI=1S/C11H23N3/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5,13H,2,6-9,12H2,1,3-4H3/b11-5+
InChIKeyQLFDURLDKLCZNV-VZUCSPMQSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
CID 143050998
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine
CID 77016632

Frequently Asked Questions

What is the IUPAC name of (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine?
The IUPAC name of (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine (CID 178081175) is (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine.
What is the SMILES notation for (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine?
The canonical SMILES for (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine is C=C(N)CC/C(=C\C)N(C)CCNC.
What is the InChIKey of (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine?
The InChIKey is QLFDURLDKLCZNV-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5,13H,2,6-9,12H2,1,3-4H3/b11-5+.
What are the key properties of (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine?
(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine is sourced from PubChem (CID 178081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).