N-cyclohexyl-2-(pent-4-ynylamino)propanamide

C14H24N2O — CID 103711279

IUPACN-cyclohexyl-2-(pent-4-ynylamino)propanamide
SMILESC#CCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,12-13,15H,4-11H2,2H3,(H,16,17)
InChIKeyKIWJOXGAAXLGQF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds6

About N-cyclohexyl-2-(pent-4-ynylamino)propanamide

N-cyclohexyl-2-(pent-4-ynylamino)propanamide (PubChem CID 103711279) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(pent-4-ynylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(pent-4-ynylamino)propanamide
PubChem CID103711279
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-cyclohexyl-2-(pent-4-ynylamino)propanamide
SMILESC#CCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,12-13,15H,4-11H2,2H3,(H,16,17)
InChIKeyKIWJOXGAAXLGQF-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(pent-4-ynylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(pent-4-ynylamino)propanamide (CID 103711279) is N-cyclohexyl-2-(pent-4-ynylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(pent-4-ynylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(pent-4-ynylamino)propanamide is C#CCCCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(pent-4-ynylamino)propanamide?
The InChIKey is KIWJOXGAAXLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,12-13,15H,4-11H2,2H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-(pent-4-ynylamino)propanamide?
N-cyclohexyl-2-(pent-4-ynylamino)propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(pent-4-ynylamino)propanamide is sourced from PubChem (CID 103711279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).