2,6-diamino-N-(2-methylprop-2-enyl)hexanamide

C10H21N3O — CID 87764874

IUPAC2,6-diamino-N-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CNC(=O)C(N)CCCCN
InChIInChI=1S/C10H21N3O/c1-8(2)7-13-10(14)9(12)5-3-4-6-11/h9H,1,3-7,11-12H2,2H3,(H,13,14)
InChIKeySSTKTYVCHUTUSK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.14
Rot. Bonds7

About 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide

2,6-diamino-N-(2-methylprop-2-enyl)hexanamide (PubChem CID 87764874) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-(2-methylprop-2-enyl)hexanamide
PubChem CID87764874
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,6-diamino-N-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CNC(=O)C(N)CCCCN
InChIInChI=1S/C10H21N3O/c1-8(2)7-13-10(14)9(12)5-3-4-6-11/h9H,1,3-7,11-12H2,2H3,(H,13,14)
InChIKeySSTKTYVCHUTUSK-UHFFFAOYSA-N
XLogP0.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide?
The IUPAC name of 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide (CID 87764874) is 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide.
What is the SMILES notation for 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide?
The canonical SMILES for 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide is C=C(C)CNC(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide?
The InChIKey is SSTKTYVCHUTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)7-13-10(14)9(12)5-3-4-6-11/h9H,1,3-7,11-12H2,2H3,(H,13,14).
What are the key properties of 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide?
2,6-diamino-N-(2-methylprop-2-enyl)hexanamide has a molecular weight of 199.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(2-methylprop-2-enyl)hexanamide is sourced from PubChem (CID 87764874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).