2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide

C10H21N3O — CID 169248897

IUPAC2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)(C)NCC(NC)C(N)=O
InChIInChI=1S/C10H21N3O/c1-5-6-10(2,3)13-7-8(12-4)9(11)14/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14)
InChIKeyDQTWUCJVMZJHRJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.00
Rot. Bonds7

About 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide

2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide (PubChem CID 169248897) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide
PubChem CID169248897
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)(C)NCC(NC)C(N)=O
InChIInChI=1S/C10H21N3O/c1-5-6-10(2,3)13-7-8(12-4)9(11)14/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14)
InChIKeyDQTWUCJVMZJHRJ-UHFFFAOYSA-N
XLogP0.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide?
The IUPAC name of 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide (CID 169248897) is 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide.
What is the SMILES notation for 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide?
The canonical SMILES for 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide is C=CCC(C)(C)NCC(NC)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide?
The InChIKey is DQTWUCJVMZJHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-6-10(2,3)13-7-8(12-4)9(11)14/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14).
What are the key properties of 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide?
2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide has a molecular weight of 199.30 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide is sourced from PubChem (CID 169248897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).