N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine

C13H27N3 — CID 126678939

IUPACN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine
SMILESC=C(CN(C)CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-12(2)10-15(5)11-13(3)16-8-6-14(4)7-9-16/h12H,3,6-11H2,1-2,4-5H3
InChIKeyNMMWQNODTNADRE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.34
Rot. Bonds5

About N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine

N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine (PubChem CID 126678939) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine
PubChem CID126678939
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine
SMILESC=C(CN(C)CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-12(2)10-15(5)11-13(3)16-8-6-14(4)7-9-16/h12H,3,6-11H2,1-2,4-5H3
InChIKeyNMMWQNODTNADRE-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine (CID 126678939) is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine is C=C(CN(C)CC(C)C)N1CCN(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine?
The InChIKey is NMMWQNODTNADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2)10-15(5)11-13(3)16-8-6-14(4)7-9-16/h12H,3,6-11H2,1-2,4-5H3.
What are the key properties of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine?
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine is sourced from PubChem (CID 126678939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).