[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate

C19H31N5O3 — CID 134557102

IUPAC[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate
SMILESCCC(=NN=C(C)C(C)=NOCCOC)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C19H31N5O3/c1-7-19(22-21-15(3)16(4)23-27-12-11-25-6)26-13-17-14(2)9-8-10-18(17)24(5)20/h8-10H,7,11-13,20H2,1-6H3
InChIKeyUSRKDGCLBCRXQK-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.04
Rot. Bonds10

About [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate

[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate (PubChem CID 134557102) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate
PubChem CID134557102
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate
SMILESCCC(=NN=C(C)C(C)=NOCCOC)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C19H31N5O3/c1-7-19(22-21-15(3)16(4)23-27-12-11-25-6)26-13-17-14(2)9-8-10-18(17)24(5)20/h8-10H,7,11-13,20H2,1-6H3
InChIKeyUSRKDGCLBCRXQK-UHFFFAOYSA-N
XLogP3.04
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate?
The IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate (CID 134557102) is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate.
What is the SMILES notation for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate?
The canonical SMILES for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate is CCC(=NN=C(C)C(C)=NOCCOC)OCc1c(C)cccc1N(C)N.
What is the InChIKey of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate?
The InChIKey is USRKDGCLBCRXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-7-19(22-21-15(3)16(4)23-27-12-11-25-6)26-13-17-14(2)9-8-10-18(17)24(5)20/h8-10H,7,11-13,20H2,1-6H3.
What are the key properties of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate?
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate has a molecular weight of 377.49 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[3-(2-methoxyethoxyimino)butan-2-ylidene]propanehydrazonate is sourced from PubChem (CID 134557102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).