1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine

C11H25N3 — CID 67575951

IUPAC1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CC(C)NC(C)C1
InChIInChI=1S/C11H25N3/c1-4-5-11(12)8-14-6-9(2)13-10(3)7-14/h9-11,13H,4-8,12H2,1-3H3
InChIKeyLGVIGXLRXCXMLD-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.80
Rot. Bonds4

About 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine

1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 67575951) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
PubChem CID67575951
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CC(C)NC(C)C1
InChIInChI=1S/C11H25N3/c1-4-5-11(12)8-14-6-9(2)13-10(3)7-14/h9-11,13H,4-8,12H2,1-3H3
InChIKeyLGVIGXLRXCXMLD-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-(3,5-dimethylpiperazin-1-yl)propan-2-amine
CID 67575948
1-piperidin-1-ylpentan-2-amine
CID 43650435
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918
1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine
CID 90260297
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
3,5-dimethyl-1-pentylpiperazine
CID 63862612
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
CID 115560295

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine (CID 67575951) is 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine is CCCC(N)CN1CC(C)NC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is LGVIGXLRXCXMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-5-11(12)8-14-6-9(2)13-10(3)7-14/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine?
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 67575951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).