2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide

C11H24N4O — CID 43252622

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCN(CCN)CC1
InChIInChI=1S/C11H24N4O/c1-10(11(16)13(2)3)15-8-6-14(5-4-12)7-9-15/h10H,4-9,12H2,1-3H3
InChIKeyFOXVVKTXIUBCMF-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.96
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 43252622) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID43252622
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCN(CCN)CC1
InChIInChI=1S/C11H24N4O/c1-10(11(16)13(2)3)15-8-6-14(5-4-12)7-9-15/h10H,4-9,12H2,1-3H3
InChIKeyFOXVVKTXIUBCMF-UHFFFAOYSA-N
XLogP-0.96
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522466
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
2-[4-(2-aminoethyl)piperazin-1-yl]propanal
CID 174502098
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43252705

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide (CID 43252622) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is FOXVVKTXIUBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(11(16)13(2)3)15-8-6-14(5-4-12)7-9-15/h10H,4-9,12H2,1-3H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 43252622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).