N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide

C21H42N2O — CID 58848958

IUPACN-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide
SMILESCCCCN(CCCCCNC1CCCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C21H42N2O/c1-5-6-16-23(20(24)18-21(2,3)4)17-12-8-11-15-22-19-13-9-7-10-14-19/h19,22H,5-18H2,1-4H3
InChIKeyDIBIAPXOZKAGMP-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.14
Rot. Bonds11

About N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide

N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide (PubChem CID 58848958) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide
PubChem CID58848958
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC NameN-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide
SMILESCCCCN(CCCCCNC1CCCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C21H42N2O/c1-5-6-16-23(20(24)18-21(2,3)4)17-12-8-11-15-22-19-13-9-7-10-14-19/h19,22H,5-18H2,1-4H3
InChIKeyDIBIAPXOZKAGMP-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
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 N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide (CID 58848958) is N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide is CCCCN(CCCCCNC1CCCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide?
The InChIKey is DIBIAPXOZKAGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-5-6-16-23(20(24)18-21(2,3)4)17-12-8-11-15-22-19-13-9-7-10-14-19/h19,22H,5-18H2,1-4H3.
What are the key properties of N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide?
N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide has a molecular weight of 338.58 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(cyclohexylamino)pentyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58848958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).