N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine

C10H18N2 — CID 143109925

IUPACN'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine
SMILESCN(CN)CCC1=CCCC=C1
InChIInChI=1S/C10H18N2/c1-12(9-11)8-7-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9,11H2,1H3
InChIKeyDGKKJEMERDKMCP-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.50
Rot. Bonds4

About N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine

N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine (PubChem CID 143109925) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine
PubChem CID143109925
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine
SMILESCN(CN)CCC1=CCCC=C1
InChIInChI=1S/C10H18N2/c1-12(9-11)8-7-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9,11H2,1H3
InChIKeyDGKKJEMERDKMCP-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 70596097
1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine
CID 89209241
1-cyclohexa-1,5-dien-1-yl-N'-methylmethanediamine
CID 89531123
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 118518570
3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine
CID 123727003
4-[2-(Dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 123955294
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219
1-[(3Z,4Z)-3-ethylidenenona-4,8-dienyl]-1,3-diazinane
CID 132198567
N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
CID 134525395

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine?
The IUPAC name of N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine (CID 143109925) is N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine is CN(CN)CCC1=CCCC=C1.
What is the InChIKey of N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine?
The InChIKey is DGKKJEMERDKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(9-11)8-7-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9,11H2,1H3.
What are the key properties of N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine?
N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine has a molecular weight of 166.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine is sourced from PubChem (CID 143109925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).