N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine

C16H35N3 — CID 62773868

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCC(C)N1CCN(C(C)CNCCC(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(4)18-9-11-19(12-10-18)16(5)13-17-8-7-14(2)3/h14-17H,6-13H2,1-5H3
InChIKeyWPSJMOMMQRZBHS-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine

N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine (PubChem CID 62773868) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
PubChem CID62773868
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCC(C)N1CCN(C(C)CNCCC(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(4)18-9-11-19(12-10-18)16(5)13-17-8-7-14(2)3/h14-17H,6-13H2,1-5H3
InChIKeyWPSJMOMMQRZBHS-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
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-(4-ethyl-4-methylpiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 63163458
3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
CID 62557137
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62568657
2-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054308
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
CID 62569572
N-[2-(2-ethylmorpholin-4-yl)propyl]-3-methylbutan-1-amine
CID 62570644
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine (CID 62773868) is N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine is CCC(C)N1CCN(C(C)CNCCC(C)C)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is WPSJMOMMQRZBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-15(4)18-9-11-19(12-10-18)16(5)13-17-8-7-14(2)3/h14-17H,6-13H2,1-5H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine?
N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).