1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine

C11H18N2O — CID 143224309

IUPAC1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CC1CCCO1
InChIInChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10,13)8-9-4-3-7-14-9/h1-2,5-6,9-10H,3-4,7-8,12-13H2
InChIKeyJVFNDIVOPZVGHF-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.71
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine

1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 143224309) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID143224309
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CC1CCCO1
InChIInChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10,13)8-9-4-3-7-14-9/h1-2,5-6,9-10H,3-4,7-8,12-13H2
InChIKeyJVFNDIVOPZVGHF-UHFFFAOYSA-N
XLogP0.71
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine (CID 143224309) is 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is JVFNDIVOPZVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10,13)8-9-4-3-7-14-9/h1-2,5-6,9-10H,3-4,7-8,12-13H2.
What are the key properties of 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine?
1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 143224309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).