(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide

C11H23N3O — CID 142670884

IUPAC(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
SMILESCCCN/C(=C(\CCC)C(N)=O)N(C)C
InChIInChI=1S/C11H23N3O/c1-5-7-9(10(12)15)11(14(3)4)13-8-6-2/h13H,5-8H2,1-4H3,(H2,12,15)/b11-9-
InChIKeyUOWLMENWOOQGPN-LUAWRHEFSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds7

About (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide

(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide (PubChem CID 142670884) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide.

Molecular Properties

Compound Name(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
PubChem CID142670884
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
SMILESCCCN/C(=C(\CCC)C(N)=O)N(C)C
InChIInChI=1S/C11H23N3O/c1-5-7-9(10(12)15)11(14(3)4)13-8-6-2/h13H,5-8H2,1-4H3,(H2,12,15)/b11-9-
InChIKeyUOWLMENWOOQGPN-LUAWRHEFSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 158833027
CID 158833027
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
3-iodo-2-propylhex-2-enamide
CID 173239581
butanamide
CID 141414886
butanamide;dihydrobromide
CID 140988378
N,N-dimethyl-2-(propylamino)but-2-enamide
CID 122506064
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
4-(propylamino)butanamide
CID 21468794
2-(1-aminobutylideneamino)-N-propylpropanamide
CID 63177784
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide
CID 146307442
potassium;butanamide;hydride
CID 174374590

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide?
The IUPAC name of (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide (CID 142670884) is (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide.
What is the SMILES notation for (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide?
The canonical SMILES for (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide is CCCN/C(=C(\CCC)C(N)=O)N(C)C.
What is the InChIKey of (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide?
The InChIKey is UOWLMENWOOQGPN-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-7-9(10(12)15)11(14(3)4)13-8-6-2/h13H,5-8H2,1-4H3,(H2,12,15)/b11-9-.
What are the key properties of (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide?
(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide is sourced from PubChem (CID 142670884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).