[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol

C14H26N2O — CID 70974471

IUPAC[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol
SMILESCNC1=CCC(C(O)N(C(C)C)C(C)C)C=C1
InChIInChI=1S/C14H26N2O/c1-10(2)16(11(3)4)14(17)12-6-8-13(15-5)9-7-12/h6,8-12,14-15,17H,7H2,1-5H3
InChIKeyJFMFSXCVEGGAQF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.10
Rot. Bonds5

About [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol

[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 70974471) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID70974471
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol
SMILESCNC1=CCC(C(O)N(C(C)C)C(C)C)C=C1
InChIInChI=1S/C14H26N2O/c1-10(2)16(11(3)4)14(17)12-6-8-13(15-5)9-7-12/h6,8-12,14-15,17H,7H2,1-5H3
InChIKeyJFMFSXCVEGGAQF-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
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 [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol (CID 70974471) is [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol is CNC1=CCC(C(O)N(C(C)C)C(C)C)C=C1.
What is the InChIKey of [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is JFMFSXCVEGGAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)16(11(3)4)14(17)12-6-8-13(15-5)9-7-12/h6,8-12,14-15,17H,7H2,1-5H3.
What are the key properties of [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol?
[di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 70974471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).