N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide

C11H23N3O — CID 123687578

IUPACN-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide
SMILESC/C(N)=N\CCCC(C)NC(=O)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)11(15)14-9(3)6-5-7-13-10(4)12/h8-9H,5-7H2,1-4H3,(H2,12,13)(H,14,15)
InChIKeyGAGXHMBRMHUWAD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds6

About N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide

N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide (PubChem CID 123687578) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide
PubChem CID123687578
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide
SMILESC/C(N)=N\CCCC(C)NC(=O)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)11(15)14-9(3)6-5-7-13-10(4)12/h8-9H,5-7H2,1-4H3,(H2,12,13)(H,14,15)
InChIKeyGAGXHMBRMHUWAD-UHFFFAOYSA-N
XLogP1.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)acetamide
CID 57120687
N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]acetamide
CID 60093866
N-[5-(diaminomethylideneamino)pentan-2-yl]acetamide
CID 72646318
N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide
CID 89004304
N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide
CID 122547941
N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
CID 122547942
N-[3-[(1-amino-3-methylbutylidene)amino]propyl]-2-methylbutanamide
CID 122598424
2-methyl-N-(C-pentyl-N-propan-2-ylcarbonimidoyl)propanamide
CID 132104693
3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide
CID 134386605
N-[(3S,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl]acetamide
CID 140380920
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide
CID 146580072
2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide
CID 159082093

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide (CID 123687578) is N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide is C/C(N)=N\CCCC(C)NC(=O)C(C)C.
What is the InChIKey of N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide?
The InChIKey is GAGXHMBRMHUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)11(15)14-9(3)6-5-7-13-10(4)12/h8-9H,5-7H2,1-4H3,(H2,12,13)(H,14,15).
What are the key properties of N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide?
N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 123687578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).