4-(4-ethylpiperazin-1-yl)pentan-2-amine

C11H25N3 — CID 64707978

IUPAC4-(4-ethylpiperazin-1-yl)pentan-2-amine
SMILESCCN1CCN(C(C)CC(C)N)CC1
InChIInChI=1S/C11H25N3/c1-4-13-5-7-14(8-6-13)11(3)9-10(2)12/h10-11H,4-9,12H2,1-3H3
InChIKeyPKEROWFRHGWJIP-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)pentan-2-amine

4-(4-ethylpiperazin-1-yl)pentan-2-amine (PubChem CID 64707978) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)pentan-2-amine
PubChem CID64707978
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name4-(4-ethylpiperazin-1-yl)pentan-2-amine
SMILESCCN1CCN(C(C)CC(C)N)CC1
InChIInChI=1S/C11H25N3/c1-4-13-5-7-14(8-6-13)11(3)9-10(2)12/h10-11H,4-9,12H2,1-3H3
InChIKeyPKEROWFRHGWJIP-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
3-(4-ethylpiperazin-1-yl)butanoic acid
CID 43537206
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
3-(4-ethylpiperazin-1-yl)butanimidamide
CID 60914884
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
CID 119901742
1,4-bis(4-methylpentan-2-yl)piperazine
CID 3064079
4-(4-ethoxypiperidin-1-yl)pentan-2-amine
CID 64707608
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
CID 64786472
1,4-diethylpiperazine;sulfane
CID 177062456
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
CID 3064078
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)pentan-2-amine (CID 64707978) is 4-(4-ethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)pentan-2-amine is CCN1CCN(C(C)CC(C)N)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is PKEROWFRHGWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-13-5-7-14(8-6-13)11(3)9-10(2)12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)pentan-2-amine?
4-(4-ethylpiperazin-1-yl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 64707978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).