N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine

C10H20N2 — CID 167138374

IUPACN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
SMILESC/C=C\C(=C\CCC)N(C)CN
InChIInChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-
InChIKeyJRGBALNZDILISZ-RRMOSLQNSA-N
MW168.28 g/mol
LogP2.09
Rot. Bonds5

About N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine

N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine (PubChem CID 167138374) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
PubChem CID167138374
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
SMILESC/C=C\C(=C\CCC)N(C)CN
InChIInChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-
InChIKeyJRGBALNZDILISZ-RRMOSLQNSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Diethylamino-p-phenylenediamine
CID 149750270
4-N,4-N-diethylcyclohexa-2,4-diene-1,1,4-triamine
CID 69335160
1-N',4-N-dimethylcyclohexa-2,4-diene-1,1,4-triamine
CID 69585129
(2-Ethylazepin-1-yl)methanediamine
CID 70540483
(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
CID 88976883
1-methyl-1-[(3E,5Z)-octa-1,3,5-trien-3-yl]guanidine
CID 89328680
4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole
CID 121420090
N'-methyl-N'-(3-methylhepta-1,3,5-trien-2-yl)methanediamine
CID 123380853
(2Z,5Z)-1-N'-ethyl-1-N'-[(3Z)-hexa-1,3,5-trien-3-yl]-4-methylidenehepta-2,5-diene-1,1-diamine
CID 124112798
(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine
CID 129305933
1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine
CID 134547944
1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine
CID 135277988

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The IUPAC name of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine (CID 167138374) is N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine is C/C=C\C(=C\CCC)N(C)CN.
What is the InChIKey of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The InChIKey is JRGBALNZDILISZ-RRMOSLQNSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-.
What are the key properties of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine has a molecular weight of 168.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine is sourced from PubChem (CID 167138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).