5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine

C17H37N3 — CID 62774852

IUPAC5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCC(C)N1CCN(CCCCCNCC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-5-17(4)20-13-11-19(12-14-20)10-8-6-7-9-18-15-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyXKMBRGCHRIXQRK-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds10

About 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine

5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62774852) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62774852
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCC(C)N1CCN(CCCCCNCC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-5-17(4)20-13-11-19(12-14-20)10-8-6-7-9-18-15-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyXKMBRGCHRIXQRK-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
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

N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63160182
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 62775059
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 62774852) is 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine is CCC(C)N1CCN(CCCCCNCC(C)C)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is XKMBRGCHRIXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-17(4)20-13-11-19(12-14-20)10-8-6-7-9-18-15-16(2)3/h16-18H,5-15H2,1-4H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62774852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).