6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide

C13H26N2O — CID 105056131

IUPAC6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide
SMILESCC(C)C1(CNC(=O)CCCCCN)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)13(7-8-13)10-15-12(16)6-4-3-5-9-14/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyWNWHXPJTXWFYDG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds8

About 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide

6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide (PubChem CID 105056131) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide
PubChem CID105056131
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide
SMILESCC(C)C1(CNC(=O)CCCCCN)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)13(7-8-13)10-15-12(16)6-4-3-5-9-14/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyWNWHXPJTXWFYDG-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide (CID 105056131) is 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide is CC(C)C1(CNC(=O)CCCCCN)CC1.
What is the InChIKey of 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide?
The InChIKey is WNWHXPJTXWFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)13(7-8-13)10-15-12(16)6-4-3-5-9-14/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide?
6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide is sourced from PubChem (CID 105056131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).