6-amino-N-(1-cyanobutan-2-yl)hexanamide

C11H21N3O — CID 62645663

IUPAC6-amino-N-(1-cyanobutan-2-yl)hexanamide
SMILESCCC(CC#N)NC(=O)CCCCCN
InChIInChI=1S/C11H21N3O/c1-2-10(7-9-13)14-11(15)6-4-3-5-8-12/h10H,2-8,12H2,1H3,(H,14,15)
InChIKeyYNJDMHBVPKDRFT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.31
Rot. Bonds8

About 6-amino-N-(1-cyanobutan-2-yl)hexanamide

6-amino-N-(1-cyanobutan-2-yl)hexanamide (PubChem CID 62645663) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-amino-N-(1-cyanobutan-2-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1-cyanobutan-2-yl)hexanamide
PubChem CID62645663
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name6-amino-N-(1-cyanobutan-2-yl)hexanamide
SMILESCCC(CC#N)NC(=O)CCCCCN
InChIInChI=1S/C11H21N3O/c1-2-10(7-9-13)14-11(15)6-4-3-5-8-12/h10H,2-8,12H2,1H3,(H,14,15)
InChIKeyYNJDMHBVPKDRFT-UHFFFAOYSA-N
XLogP1.31
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
N-pentan-3-yldocosanamide
CID 123339332
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
CID 81168477
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
N-(1-cyanopropyl)heptanamide
CID 115605228

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-cyanobutan-2-yl)hexanamide?
The IUPAC name of 6-amino-N-(1-cyanobutan-2-yl)hexanamide (CID 62645663) is 6-amino-N-(1-cyanobutan-2-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(1-cyanobutan-2-yl)hexanamide?
The canonical SMILES for 6-amino-N-(1-cyanobutan-2-yl)hexanamide is CCC(CC#N)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(1-cyanobutan-2-yl)hexanamide?
The InChIKey is YNJDMHBVPKDRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-10(7-9-13)14-11(15)6-4-3-5-8-12/h10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 6-amino-N-(1-cyanobutan-2-yl)hexanamide?
6-amino-N-(1-cyanobutan-2-yl)hexanamide has a molecular weight of 211.31 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-cyanobutan-2-yl)hexanamide is sourced from PubChem (CID 62645663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).