N-[5-(diethylamino)pentan-2-yl]prop-2-enamide

C12H24N2O — CID 43616329

IUPACN-[5-(diethylamino)pentan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)CCCN(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)13-11(4)9-8-10-14(6-2)7-3/h5,11H,1,6-10H2,2-4H3,(H,13,15)
InChIKeyKUTYRKSEXLKSTE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds8

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

N-[5-(diethylamino)pentan-2-yl]prop-2-enamide (PubChem CID 43616329) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]prop-2-enamide
PubChem CID43616329
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[5-(diethylamino)pentan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)CCCN(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)13-11(4)9-8-10-14(6-2)7-3/h5,11H,1,6-10H2,2-4H3,(H,13,15)
InChIKeyKUTYRKSEXLKSTE-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]prop-2-enamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]prop-2-enamide (CID 43616329) is N-[5-(diethylamino)pentan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]prop-2-enamide is C=CC(=O)NC(C)CCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]prop-2-enamide?
The InChIKey is KUTYRKSEXLKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(15)13-11(4)9-8-10-14(6-2)7-3/h5,11H,1,6-10H2,2-4H3,(H,13,15).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]prop-2-enamide?
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 8 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]prop-2-enamide is sourced from PubChem (CID 43616329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).