6-amino-N-methyl-2-propan-2-ylidenehexanamide

C10H20N2O — CID 88620002

IUPAC6-amino-N-methyl-2-propan-2-ylidenehexanamide
SMILESCNC(=O)C(CCCCN)=C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(10(13)12-3)6-4-5-7-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyNYACPHTVRLLYLM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds5

About 6-amino-N-methyl-2-propan-2-ylidenehexanamide

6-amino-N-methyl-2-propan-2-ylidenehexanamide (PubChem CID 88620002) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-amino-N-methyl-2-propan-2-ylidenehexanamide.

Molecular Properties

Compound Name6-amino-N-methyl-2-propan-2-ylidenehexanamide
PubChem CID88620002
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-amino-N-methyl-2-propan-2-ylidenehexanamide
SMILESCNC(=O)C(CCCCN)=C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(10(13)12-3)6-4-5-7-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyNYACPHTVRLLYLM-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-2-propan-2-ylidenehexanamide?
The IUPAC name of 6-amino-N-methyl-2-propan-2-ylidenehexanamide (CID 88620002) is 6-amino-N-methyl-2-propan-2-ylidenehexanamide.
What is the SMILES notation for 6-amino-N-methyl-2-propan-2-ylidenehexanamide?
The canonical SMILES for 6-amino-N-methyl-2-propan-2-ylidenehexanamide is CNC(=O)C(CCCCN)=C(C)C.
What is the InChIKey of 6-amino-N-methyl-2-propan-2-ylidenehexanamide?
The InChIKey is NYACPHTVRLLYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)9(10(13)12-3)6-4-5-7-11/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 6-amino-N-methyl-2-propan-2-ylidenehexanamide?
6-amino-N-methyl-2-propan-2-ylidenehexanamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-2-propan-2-ylidenehexanamide is sourced from PubChem (CID 88620002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).