(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine

C7H12N2O — CID 126714359

IUPAC(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine
SMILESCOC1=CC=CC(N)[C@H]1N
InChIInChI=1S/C7H12N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7H,8-9H2,1H3/t5?,7-/m1/s1
InChIKeyDQRFEJPYBAPCIC-NQPNHJOESA-N
MW140.19 g/mol
LogP-0.26
Rot. Bonds1

About (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine

(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine (PubChem CID 126714359) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine
PubChem CID126714359
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine
SMILESCOC1=CC=CC(N)[C@H]1N
InChIInChI=1S/C7H12N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7H,8-9H2,1H3/t5?,7-/m1/s1
InChIKeyDQRFEJPYBAPCIC-NQPNHJOESA-N
XLogP-0.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine (CID 126714359) is (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine is COC1=CC=CC(N)[C@H]1N.
What is the InChIKey of (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine?
The InChIKey is DQRFEJPYBAPCIC-NQPNHJOESA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7H,8-9H2,1H3/t5?,7-/m1/s1.
What are the key properties of (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine?
(2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxycyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 126714359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).