4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

C15H31N3 — CID 64946958

IUPAC4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC1CNC(C)(C2CC2)CN1CCCCN(C)C
InChIInChI=1S/C15H31N3/c1-13-11-16-15(2,14-7-8-14)12-18(13)10-6-5-9-17(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyYHFPBSFLWDZSLC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64946958) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID64946958
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC1CNC(C)(C2CC2)CN1CCCCN(C)C
InChIInChI=1S/C15H31N3/c1-13-11-16-15(2,14-7-8-14)12-18(13)10-6-5-9-17(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyYHFPBSFLWDZSLC-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (CID 64946958) is 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is CC1CNC(C)(C2CC2)CN1CCCCN(C)C.
What is the InChIKey of 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is YHFPBSFLWDZSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-11-16-15(2,14-7-8-14)12-18(13)10-6-5-9-17(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64946958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).