N-[5-(diethylamino)pentan-2-yl]butanamide

C13H28N2O — CID 60707663

IUPACN-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCCC(=O)NC(C)CCCN(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-9-13(16)14-12(4)10-8-11-15(6-2)7-3/h12H,5-11H2,1-4H3,(H,14,16)
InChIKeyGIXHBPAXZZSPJH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]butanamide

N-[5-(diethylamino)pentan-2-yl]butanamide (PubChem CID 60707663) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]butanamide
PubChem CID60707663
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCCC(=O)NC(C)CCCN(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-9-13(16)14-12(4)10-8-11-15(6-2)7-3/h12H,5-11H2,1-4H3,(H,14,16)
InChIKeyGIXHBPAXZZSPJH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
N-hexan-2-ylbutanamide
CID 64592038
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-(6-methylheptan-2-yl)butanamide
CID 60644759
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]butanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]butanamide (CID 60707663) is N-[5-(diethylamino)pentan-2-yl]butanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]butanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]butanamide is CCCC(=O)NC(C)CCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]butanamide?
The InChIKey is GIXHBPAXZZSPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-9-13(16)14-12(4)10-8-11-15(6-2)7-3/h12H,5-11H2,1-4H3,(H,14,16).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]butanamide?
N-[5-(diethylamino)pentan-2-yl]butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]butanamide is sourced from PubChem (CID 60707663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).