[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide

C26H38N6O2 — CID 142358801

IUPAC[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide
SMILESCCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N.CN(N)C=O
InChIInChI=1S/C24H32N4O.C2H6N2O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20;1-4(3)2-5/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3;2H,3H2,1H3
InChIKeyVVACWTTYEXNVIK-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.88
Rot. Bonds7

About [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide

[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide (PubChem CID 142358801) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide
PubChem CID142358801
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide
SMILESCCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N.CN(N)C=O
InChIInChI=1S/C24H32N4O.C2H6N2O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20;1-4(3)2-5/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3;2H,3H2,1H3
InChIKeyVVACWTTYEXNVIK-UHFFFAOYSA-N
XLogP3.88
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide?
The IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide (CID 142358801) is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide.
What is the SMILES notation for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide?
The canonical SMILES for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide is CCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N.CN(N)C=O.
What is the InChIKey of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide?
The InChIKey is VVACWTTYEXNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O.C2H6N2O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20;1-4(3)2-5/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3;2H,3H2,1H3.
What are the key properties of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide?
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide has a molecular weight of 466.63 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate;N-amino-N-methylformamide is sourced from PubChem (CID 142358801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).