ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide

C11H23N3O — CID 177241613

IUPACethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
SMILESC/C=N/C=C(\C)CC(NC)C(N)=O.CC
InChIInChI=1S/C9H17N3O.C2H6/c1-4-12-6-7(2)5-8(11-3)9(10)13;1-2/h4,6,8,11H,5H2,1-3H3,(H2,10,13);1-2H3/b7-6+,12-4+;
InChIKeyNLDKEJXXCAGTNI-CSROAXMKSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds5

About ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide

ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide (PubChem CID 177241613) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide.

Molecular Properties

Compound Nameethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
PubChem CID177241613
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Nameethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
SMILESC/C=N/C=C(\C)CC(NC)C(N)=O.CC
InChIInChI=1S/C9H17N3O.C2H6/c1-4-12-6-7(2)5-8(11-3)9(10)13;1-2/h4,6,8,11H,5H2,1-3H3,(H2,10,13);1-2H3/b7-6+,12-4+;
InChIKeyNLDKEJXXCAGTNI-CSROAXMKSA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide
CID 89195747
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide
CID 123535361
(4Z)-2-amino-N-methyl-4-[(methylideneamino)methylidene]hex-5-enamide;ethane
CID 153618959
(4Z)-2-amino-N-methyl-4-[(methylideneamino)methylidene]hex-5-enamide
CID 153618960
(2S)-2-amino-N-methyl-3-(3H-pyrrol-4-yl)propanamide
CID 160567144
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]-3-(3H-pyrrol-4-yl)propanamide
CID 167628086
(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
CID 177241614

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The IUPAC name of ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide (CID 177241613) is ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide.
What is the SMILES notation for ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The canonical SMILES for ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide is C/C=N/C=C(\C)CC(NC)C(N)=O.CC.
What is the InChIKey of ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The InChIKey is NLDKEJXXCAGTNI-CSROAXMKSA-N. The full InChI is InChI=1S/C9H17N3O.C2H6/c1-4-12-6-7(2)5-8(11-3)9(10)13;1-2/h4,6,8,11H,5H2,1-3H3,(H2,10,13);1-2H3/b7-6+,12-4+;.
What are the key properties of ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide is sourced from PubChem (CID 177241613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).