2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide

C10H17N2O- — CID 142040884

IUPAC2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
SMILESC[N-]CCNC1=CC=C(OC)CC1
InChIInChI=1S/C10H17N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,12H,4,6-8H2,1-2H3/q-1
InChIKeyASVCKQZYLNTXOB-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.79
Rot. Bonds5

About 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide

2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide (PubChem CID 142040884) has the molecular formula C10H17N2O- and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide.

Molecular Properties

Compound Name2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
PubChem CID142040884
Molecular FormulaC10H17N2O-
Molecular Weight181.26 g/mol
Exact Mass181.13
IUPAC Name2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
SMILESC[N-]CCNC1=CC=C(OC)CC1
InChIInChI=1S/C10H17N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,12H,4,6-8H2,1-2H3/q-1
InChIKeyASVCKQZYLNTXOB-UHFFFAOYSA-N
XLogP1.79
TPSA35.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 145513424
5-fluoro-2-N-(4-methoxybutyl)-1-N-methylcyclohexa-2,4-diene-1,2-diamine
CID 163593329
4-methoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68056392
4-ethoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68394016
5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
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
ethane;(3E,5E)-6-methoxy-N-propylhepta-3,5-dien-3-amine
CID 143108392

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide?
The IUPAC name of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide (CID 142040884) is 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide.
What is the SMILES notation for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide?
The canonical SMILES for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide is C[N-]CCNC1=CC=C(OC)CC1.
What is the InChIKey of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide?
The InChIKey is ASVCKQZYLNTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,12H,4,6-8H2,1-2H3/q-1.
What are the key properties of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide?
2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide has a molecular weight of 181.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide is sourced from PubChem (CID 142040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).