2-(4-cyclopentylpiperazin-1-yl)octan-1-amine

C17H35N3 — CID 62369576

IUPAC2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-2-3-4-5-10-17(15-18)20-13-11-19(12-14-20)16-8-6-7-9-16/h16-17H,2-15,18H2,1H3
InChIKeyPQOIWDFLTWUPGH-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds8

About 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine

2-(4-cyclopentylpiperazin-1-yl)octan-1-amine (PubChem CID 62369576) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
PubChem CID62369576
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-2-3-4-5-10-17(15-18)20-13-11-19(12-14-20)16-8-6-7-9-16/h16-17H,2-15,18H2,1H3
InChIKeyPQOIWDFLTWUPGH-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
CID 62950972
2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
CID 107134609
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
CID 55063596
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine (CID 62369576) is 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine is CCCCCCC(CN)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine?
The InChIKey is PQOIWDFLTWUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-2-3-4-5-10-17(15-18)20-13-11-19(12-14-20)16-8-6-7-9-16/h16-17H,2-15,18H2,1H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine?
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)octan-1-amine is sourced from PubChem (CID 62369576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).