N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine

C13H27N3 — CID 135199962

IUPACN,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine
SMILESC=C(CCN1CCN(C(C)C)CC1)N(C)C
InChIInChI=1S/C13H27N3/c1-12(2)16-10-8-15(9-11-16)7-6-13(3)14(4)5/h12H,3,6-11H2,1-2,4-5H3
InChIKeyUDZYIFFLSOWWKW-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.48
Rot. Bonds5

About N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine

N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine (PubChem CID 135199962) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine
PubChem CID135199962
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine
SMILESC=C(CCN1CCN(C(C)C)CC1)N(C)C
InChIInChI=1S/C13H27N3/c1-12(2)16-10-8-15(9-11-16)7-6-13(3)14(4)5/h12H,3,6-11H2,1-2,4-5H3
InChIKeyUDZYIFFLSOWWKW-UHFFFAOYSA-N
XLogP1.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine?
The IUPAC name of N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine (CID 135199962) is N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine is C=C(CCN1CCN(C(C)C)CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine?
The InChIKey is UDZYIFFLSOWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2)16-10-8-15(9-11-16)7-6-13(3)14(4)5/h12H,3,6-11H2,1-2,4-5H3.
What are the key properties of N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine?
N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine is sourced from PubChem (CID 135199962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).