4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide

C11H21N3O — CID 144920807

IUPAC4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
SMILESC/C=N/C=C(\C)CCNC(=O)CCCN
InChIInChI=1S/C11H21N3O/c1-3-13-9-10(2)6-8-14-11(15)5-4-7-12/h3,9H,4-8,12H2,1-2H3,(H,14,15)/b10-9+,13-3+
InChIKeyUXZVDHOGQLAMFL-BQDNQQQLSA-N
MW211.31 g/mol
LogP1.23
Rot. Bonds7

About 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide

4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide (PubChem CID 144920807) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
PubChem CID144920807
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
SMILESC/C=N/C=C(\C)CCNC(=O)CCCN
InChIInChI=1S/C11H21N3O/c1-3-13-9-10(2)6-8-14-11(15)5-4-7-12/h3,9H,4-8,12H2,1-2H3,(H,14,15)/b10-9+,13-3+
InChIKeyUXZVDHOGQLAMFL-BQDNQQQLSA-N
XLogP1.23
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.23
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

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
CID 58710755
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
CID 159070362
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide?
The IUPAC name of 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide (CID 144920807) is 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide.
What is the SMILES notation for 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide?
The canonical SMILES for 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide is C/C=N/C=C(\C)CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide?
The InChIKey is UXZVDHOGQLAMFL-BQDNQQQLSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13-9-10(2)6-8-14-11(15)5-4-7-12/h3,9H,4-8,12H2,1-2H3,(H,14,15)/b10-9+,13-3+.
What are the key properties of 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide?
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide has a molecular weight of 211.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide is sourced from PubChem (CID 144920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).