N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C9H16N2O — CID 142040917

IUPACN'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCOC1=CC=C(NCCN)CC1
InChIInChI=1S/C9H16N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,11H,3,5-7,10H2,1H3
InChIKeyNDLGIIOGZLZFNT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.74
Rot. Bonds4

About N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 142040917) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID142040917
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCOC1=CC=C(NCCN)CC1
InChIInChI=1S/C9H16N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,11H,3,5-7,10H2,1H3
InChIKeyNDLGIIOGZLZFNT-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]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

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 142040917) is N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is COC1=CC=C(NCCN)CC1.
What is the InChIKey of N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is NDLGIIOGZLZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,11H,3,5-7,10H2,1H3.
What are the key properties of N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 142040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).