4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine

C17H37N3 — CID 62774850

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
SMILESCCC(C)N1CCN(C(C)CCCNC(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-7-15(2)19-11-13-20(14-12-19)16(3)9-8-10-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyWWZYDAJZASQWEB-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.96
Rot. Bonds7

About 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine

4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine (PubChem CID 62774850) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
PubChem CID62774850
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
SMILESCCC(C)N1CCN(C(C)CCCNC(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-7-15(2)19-11-13-20(14-12-19)16(3)9-8-10-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyWWZYDAJZASQWEB-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.96
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-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 62431627
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061621
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine (CID 62774850) is 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine is CCC(C)N1CCN(C(C)CCCNC(C)(C)C)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine?
The InChIKey is WWZYDAJZASQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-15(2)19-11-13-20(14-12-19)16(3)9-8-10-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine?
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine is sourced from PubChem (CID 62774850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).