1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol

C12H22N2O — CID 175170606

IUPAC1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol
SMILESCC(C)NC1=CC=CC(O)(NC(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(2)13-11-6-5-7-12(15,8-11)14-10(3)4/h5-7,9-10,13-15H,8H2,1-4H3
InChIKeyJADURQAQVQWHJP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds4

About 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol

1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 175170606) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol
PubChem CID175170606
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol
SMILESCC(C)NC1=CC=CC(O)(NC(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(2)13-11-6-5-7-12(15,8-11)14-10(3)4/h5-7,9-10,13-15H,8H2,1-4H3
InChIKeyJADURQAQVQWHJP-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol (CID 175170606) is 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol is CC(C)NC1=CC=CC(O)(NC(C)C)C1.
What is the InChIKey of 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is JADURQAQVQWHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)13-11-6-5-7-12(15,8-11)14-10(3)4/h5-7,9-10,13-15H,8H2,1-4H3.
What are the key properties of 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol?
1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(propan-2-ylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175170606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).