N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide

C13H25N3O — CID 87500885

IUPACN-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide
SMILESC=CCN(CC=C)N(C)C(=O)CCNC(C)C
InChIInChI=1S/C13H25N3O/c1-6-10-16(11-7-2)15(5)13(17)8-9-14-12(3)4/h6-7,12,14H,1-2,8-11H2,3-5H3
InChIKeyMTXMZSVMRVKZJQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.42
Rot. Bonds9

About N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide

N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide (PubChem CID 87500885) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide
PubChem CID87500885
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide
SMILESC=CCN(CC=C)N(C)C(=O)CCNC(C)C
InChIInChI=1S/C13H25N3O/c1-6-10-16(11-7-2)15(5)13(17)8-9-14-12(3)4/h6-7,12,14H,1-2,8-11H2,3-5H3
InChIKeyMTXMZSVMRVKZJQ-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide?
The IUPAC name of N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide (CID 87500885) is N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide.
What is the SMILES notation for N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide?
The canonical SMILES for N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide is C=CCN(CC=C)N(C)C(=O)CCNC(C)C.
What is the InChIKey of N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide?
The InChIKey is MTXMZSVMRVKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-10-16(11-7-2)15(5)13(17)8-9-14-12(3)4/h6-7,12,14H,1-2,8-11H2,3-5H3.
What are the key properties of N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide?
N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide has a molecular weight of 239.36 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide is sourced from PubChem (CID 87500885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).