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

C10H19N3O — CID 90453884

IUPAC(2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol
SMILESC=CC(N)/C(C)=C(\N=C)N[C@H](C)CO
InChIInChI=1S/C10H19N3O/c1-5-9(11)8(3)10(12-4)13-7(2)6-14/h5,7,9,13-14H,1,4,6,11H2,2-3H3/b10-8+/t7-,9?/m1/s1
InChIKeyCAKGMYJARSWWBF-CXHANMEXSA-N
MW197.28 g/mol
LogP0.40
Rot. Bonds6

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

(2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol (PubChem CID 90453884) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol
PubChem CID90453884
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol
SMILESC=CC(N)/C(C)=C(\N=C)N[C@H](C)CO
InChIInChI=1S/C10H19N3O/c1-5-9(11)8(3)10(12-4)13-7(2)6-14/h5,7,9,13-14H,1,4,6,11H2,2-3H3/b10-8+/t7-,9?/m1/s1
InChIKeyCAKGMYJARSWWBF-CXHANMEXSA-N
XLogP0.40
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide
CID 145090101
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
1-(1-hydroxypropan-2-yl)-2-methylguanidine
CID 62359529
N-(1-hydroxypropan-2-yl)-2,3-dimethylbut-2-enamide
CID 130679388
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
(2R)-2-amino-N-methylbut-3-enamide
CID 90248655
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
(2S)-2-[2-[(2S)-1-hydroxypropan-2-yl]hydrazinyl]propan-1-ol
CID 92556899
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol (CID 90453884) is (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol is C=CC(N)/C(C)=C(\N=C)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol?
The InChIKey is CAKGMYJARSWWBF-CXHANMEXSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-9(11)8(3)10(12-4)13-7(2)6-14/h5,7,9,13-14H,1,4,6,11H2,2-3H3/b10-8+/t7-,9?/m1/s1.
What are the key properties of (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol?
(2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1Z)-3-amino-2-methyl-1-(methylideneamino)penta-1,4-dienyl]amino]propan-1-ol is sourced from PubChem (CID 90453884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).