1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine

C11H22N4O — CID 163519766

IUPAC1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine
SMILESCOC1=C(N)C=C(N)C(NCCN(C)C)C1
InChIInChI=1S/C11H22N4O/c1-15(2)5-4-14-10-7-11(16-3)9(13)6-8(10)12/h6,10,14H,4-5,7,12-13H2,1-3H3
InChIKeyDJUMMAOBDHBUTM-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.43
Rot. Bonds5

About 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine

1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine (PubChem CID 163519766) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine
PubChem CID163519766
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine
SMILESCOC1=C(N)C=C(N)C(NCCN(C)C)C1
InChIInChI=1S/C11H22N4O/c1-15(2)5-4-14-10-7-11(16-3)9(13)6-8(10)12/h6,10,14H,4-5,7,12-13H2,1-3H3
InChIKeyDJUMMAOBDHBUTM-UHFFFAOYSA-N
XLogP-0.43
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-N-(4-methoxybutyl)-1-N-methylcyclohexa-2,4-diene-1,2-diamine
CID 163593329
5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine
CID 134239293
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202950
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142040917
1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202951

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine (CID 163519766) is 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine is COC1=C(N)C=C(N)C(NCCN(C)C)C1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine?
The InChIKey is DJUMMAOBDHBUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15(2)5-4-14-10-7-11(16-3)9(13)6-8(10)12/h6,10,14H,4-5,7,12-13H2,1-3H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine?
1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine has a molecular weight of 226.32 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine is sourced from PubChem (CID 163519766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).