N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride

C8H18ClN3O — CID 141246092

IUPACN,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
SMILESC=C(CCC)C(=O)N(NC)NC.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-5-6-7(2)8(12)11(9-3)10-4;/h9-10H,2,5-6H2,1,3-4H3;1H
InChIKeyDBFFNAJEUSSKFE-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.86
Rot. Bonds5

About N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride

N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride (PubChem CID 141246092) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
PubChem CID141246092
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC NameN,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
SMILESC=C(CCC)C(=O)N(NC)NC.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-5-6-7(2)8(12)11(9-3)10-4;/h9-10H,2,5-6H2,1,3-4H3;1H
InChIKeyDBFFNAJEUSSKFE-UHFFFAOYSA-N
XLogP0.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride?
The IUPAC name of N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride (CID 141246092) is N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride.
What is the SMILES notation for N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride?
The canonical SMILES for N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride is C=C(CCC)C(=O)N(NC)NC.Cl.
What is the InChIKey of N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride?
The InChIKey is DBFFNAJEUSSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-5-6-7(2)8(12)11(9-3)10-4;/h9-10H,2,5-6H2,1,3-4H3;1H.
What are the key properties of N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride?
N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride is sourced from PubChem (CID 141246092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).