6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine

C21H43N3 — CID 163697862

IUPAC6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine
SMILESC=C[C@@H](C)C1CNC(CCCC)C(C)(C)N1NC(C)C(C)C(C)C
InChIInChI=1S/C21H43N3/c1-10-12-13-20-21(8,9)24(19(14-22-20)16(5)11-2)23-18(7)17(6)15(3)4/h11,15-20,22-23H,2,10,12-14H2,1,3-9H3/t16-,17?,18?,19?,20?/m1/s1
InChIKeyJYLJUXPEIJKVRH-PISSXIKFSA-N
MW337.60 g/mol
LogP4.60
Rot. Bonds9

About 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine

6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine (PubChem CID 163697862) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine.

Molecular Properties

Compound Name6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine
PubChem CID163697862
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine
SMILESC=C[C@@H](C)C1CNC(CCCC)C(C)(C)N1NC(C)C(C)C(C)C
InChIInChI=1S/C21H43N3/c1-10-12-13-20-21(8,9)24(19(14-22-20)16(5)11-2)23-18(7)17(6)15(3)4/h11,15-20,22-23H,2,10,12-14H2,1,3-9H3/t16-,17?,18?,19?,20?/m1/s1
InChIKeyJYLJUXPEIJKVRH-PISSXIKFSA-N
XLogP4.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine?
The IUPAC name of 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine (CID 163697862) is 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine.
What is the SMILES notation for 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine?
The canonical SMILES for 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine is C=C[C@@H](C)C1CNC(CCCC)C(C)(C)N1NC(C)C(C)C(C)C.
What is the InChIKey of 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine?
The InChIKey is JYLJUXPEIJKVRH-PISSXIKFSA-N. The full InChI is InChI=1S/C21H43N3/c1-10-12-13-20-21(8,9)24(19(14-22-20)16(5)11-2)23-18(7)17(6)15(3)4/h11,15-20,22-23H,2,10,12-14H2,1,3-9H3/t16-,17?,18?,19?,20?/m1/s1.
What are the key properties of 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine?
6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine has a molecular weight of 337.60 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-but-3-en-2-yl]-3-butyl-N-(3,4-dimethylpentan-2-yl)-2,2-dimethylpiperazin-1-amine is sourced from PubChem (CID 163697862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).