2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine

C16H35N3 — CID 62772459

IUPAC2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H35N3/c1-4-6-7-8-9-16(14-17)19-12-10-18(11-13-19)15(3)5-2/h15-16H,4-14,17H2,1-3H3
InChIKeyXHELLZZVVBAFCR-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.70
Rot. Bonds9

About 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine (PubChem CID 62772459) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
PubChem CID62772459
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H35N3/c1-4-6-7-8-9-16(14-17)19-12-10-18(11-13-19)15(3)5-2/h15-16H,4-14,17H2,1-3H3
InChIKeyXHELLZZVVBAFCR-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.70
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-thiomorpholin-4-ylheptan-1-amine
CID 43130462
2-(4,4-diethylpiperidin-1-yl)octan-1-amine
CID 55192466
2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
CID 55117502
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
1-octadecan-4-ylaziridine
CID 87223215
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine (CID 62772459) is 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine is CCCCCCC(CN)N1CCN(C(C)CC)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine?
The InChIKey is XHELLZZVVBAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-6-7-8-9-16(14-17)19-12-10-18(11-13-19)15(3)5-2/h15-16H,4-14,17H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine is sourced from PubChem (CID 62772459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).