4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine

C30H68N8 — CID 162253807

IUPAC4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine
SMILESCC(N)CCN1CCN(CCC(C)N)C(C)(C)C1.CCCC(N)CN1CCN(CC(N)CCC)C(C)(C)C1
InChIInChI=1S/C16H36N4.C14H32N4/c1-5-7-14(17)11-19-9-10-20(16(3,4)13-19)12-15(18)8-6-2;1-12(15)5-7-17-9-10-18(8-6-13(2)16)14(3,4)11-17/h14-15H,5-13,17-18H2,1-4H3;12-13H,5-11,15-16H2,1-4H3
InChIKeyZYIIFVAFZJKSRD-UHFFFAOYSA-N
MW540.93 g/mol
LogP2.49
Rot. Bonds14

About 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine

4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine (PubChem CID 162253807) has the molecular formula C30H68N8 and a molecular weight of 540.93 g/mol. Its IUPAC name is 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine
PubChem CID162253807
Molecular FormulaC30H68N8
Molecular Weight540.93 g/mol
Exact Mass540.56
IUPAC Name4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine
SMILESCC(N)CCN1CCN(CCC(C)N)C(C)(C)C1.CCCC(N)CN1CCN(CC(N)CCC)C(C)(C)C1
InChIInChI=1S/C16H36N4.C14H32N4/c1-5-7-14(17)11-19-9-10-20(16(3,4)13-19)12-15(18)8-6-2;1-12(15)5-7-17-9-10-18(8-6-13(2)16)14(3,4)11-17/h14-15H,5-13,17-18H2,1-4H3;12-13H,5-11,15-16H2,1-4H3
InChIKeyZYIIFVAFZJKSRD-UHFFFAOYSA-N
XLogP2.49
TPSA117.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.93
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine with MolForge

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Related Compounds

(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466683
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918
1-piperidin-1-ylpentan-2-amine
CID 43650435
ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466682
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine?
The IUPAC name of 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine (CID 162253807) is 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine?
The canonical SMILES for 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine is CC(N)CCN1CCN(CCC(C)N)C(C)(C)C1.CCCC(N)CN1CCN(CC(N)CCC)C(C)(C)C1.
What is the InChIKey of 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine?
The InChIKey is ZYIIFVAFZJKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4.C14H32N4/c1-5-7-14(17)11-19-9-10-20(16(3,4)13-19)12-15(18)8-6-2;1-12(15)5-7-17-9-10-18(8-6-13(2)16)14(3,4)11-17/h14-15H,5-13,17-18H2,1-4H3;12-13H,5-11,15-16H2,1-4H3.
What are the key properties of 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine?
4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine has a molecular weight of 540.93 g/mol, XLogP of 2.49, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 162253807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).