N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide

C13H28N2O — CID 43112752

IUPACN-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
SMILESCCCCCNC(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-9-10-14-11(3)12(16)15-13(4,5)7-2/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPKUGBTCIDLLMOW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds8

About N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide

N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide (PubChem CID 43112752) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
PubChem CID43112752
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
SMILESCCCCCNC(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-9-10-14-11(3)12(16)15-13(4,5)7-2/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPKUGBTCIDLLMOW-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
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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Related Compounds

2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
2-(2-butoxyethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 61170101
N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
CID 43112990
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 55173400
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43112399
N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
CID 60720415
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60720233
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-(pentylamino)propanoic acid
CID 43467235
N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
CID 103520478
N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
CID 113484086

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide (CID 43112752) is N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide is CCCCCNC(C)C(=O)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide?
The InChIKey is PKUGBTCIDLLMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-8-9-10-14-11(3)12(16)15-13(4,5)7-2/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide is sourced from PubChem (CID 43112752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).