3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol

C10H18N2O — CID 142904820

IUPAC3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol
SMILESC=C/C=C(/CN(C)CCCO)N=C
InChIInChI=1S/C10H18N2O/c1-4-6-10(11-2)9-12(3)7-5-8-13/h4,6,13H,1-2,5,7-9H2,3H3/b10-6-
InChIKeyOORUMONPCGGHPX-POHAHGRESA-N
MW182.27 g/mol
LogP1.07
Rot. Bonds7

About 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol

3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol (PubChem CID 142904820) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol
PubChem CID142904820
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol
SMILESC=C/C=C(/CN(C)CCCO)N=C
InChIInChI=1S/C10H18N2O/c1-4-6-10(11-2)9-12(3)7-5-8-13/h4,6,13H,1-2,5,7-9H2,3H3/b10-6-
InChIKeyOORUMONPCGGHPX-POHAHGRESA-N
XLogP1.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol (CID 142904820) is 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol is C=C/C=C(/CN(C)CCCO)N=C.
What is the InChIKey of 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol?
The InChIKey is OORUMONPCGGHPX-POHAHGRESA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-10(11-2)9-12(3)7-5-8-13/h4,6,13H,1-2,5,7-9H2,3H3/b10-6-.
What are the key properties of 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol?
3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol is sourced from PubChem (CID 142904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).