N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide

C14H24N2O — CID 114202342

IUPACN-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide
SMILESC#CC(NC(C)C(=O)NC1CCCC1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-13(10(2)3)15-11(4)14(17)16-12-8-6-7-9-12/h1,10-13,15H,6-9H2,2-4H3,(H,16,17)
InChIKeyDUIQAQZLTXZWJQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide

N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide (PubChem CID 114202342) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide
PubChem CID114202342
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide
SMILESC#CC(NC(C)C(=O)NC1CCCC1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-13(10(2)3)15-11(4)14(17)16-12-8-6-7-9-12/h1,10-13,15H,6-9H2,2-4H3,(H,16,17)
InChIKeyDUIQAQZLTXZWJQ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577857
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide?
The IUPAC name of N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide (CID 114202342) is N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide is C#CC(NC(C)C(=O)NC1CCCC1)C(C)C.
What is the InChIKey of N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide?
The InChIKey is DUIQAQZLTXZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-13(10(2)3)15-11(4)14(17)16-12-8-6-7-9-12/h1,10-13,15H,6-9H2,2-4H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide?
N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide is sourced from PubChem (CID 114202342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).