N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C18H42N6 — CID 157484859

IUPACN-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CCN)CC1.CC(C)NCCN1CCNCC1
InChIInChI=1S/2C9H21N3/c1-9(2)11-5-8-12-6-3-10-4-7-12;1-9(2)12-7-5-11(4-3-10)6-8-12/h9-11H,3-8H2,1-2H3;9H,3-8,10H2,1-2H3
InChIKeyBWOYUFQJIQAPBE-UHFFFAOYSA-N
MW342.58 g/mol
LogP-0.14
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 157484859) has the molecular formula C18H42N6 and a molecular weight of 342.58 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID157484859
Molecular FormulaC18H42N6
Molecular Weight342.58 g/mol
Exact Mass342.35
IUPAC NameN-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CCN)CC1.CC(C)NCCN1CCNCC1
InChIInChI=1S/2C9H21N3/c1-9(2)11-5-8-12-6-3-10-4-7-12;1-9(2)12-7-5-11(4-3-10)6-8-12/h9-11H,3-8H2,1-2H3;9H,3-8,10H2,1-2H3
InChIKeyBWOYUFQJIQAPBE-UHFFFAOYSA-N
XLogP-0.14
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-(1-Amino-2-propyl)aminoethyl)-2-methylpiperazine
CID 3086047
1-(2-(2-Amino-1-propyl)aminoethyl)-2-methylpiperazine
CID 3086048
1-(2-(2-Amino-1-propyl)aminoethyl)-3-methylpiperazine
CID 3086050
1,2-Propanediamine, N2-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156129
1,2-Propanediamine, N1-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156130
1,2-Propanediamine, N1-[2-(3-methyl-1-piperazinyl)ethyl]-
CID 21156132
N~1~,N~2~-Bis[2-(piperazin-1-yl)ethyl]ethane-1,2-diamine
CID 13779650
1,2-Propanediamine, N2-[2-(3-methyl-1-piperazinyl)ethyl]-
CID 86232
Bis(1-propylpiperazin-1-ium) dibromide
CID 21155996
Bis(1-propylpiperazine);dihydrobromide
CID 170844747
1,4,7,10,13,16,19,22,25,28-Decaaza-tricyclo[26.2.2.2(13,16)]tetratriacontane
CID 403705
N-methyl-2-piperazin-1-yl-N-(2-piperazin-1-ylethyl)ethanamine
CID 11021479

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 157484859) is N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CCN)CC1.CC(C)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is BWOYUFQJIQAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21N3/c1-9(2)11-5-8-12-6-3-10-4-7-12;1-9(2)12-7-5-11(4-3-10)6-8-12/h9-11H,3-8H2,1-2H3;9H,3-8,10H2,1-2H3.
What are the key properties of N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 342.58 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 157484859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).