N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine

C18H31N3 — CID 115464074

IUPACN-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCN(C)C(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-10-9-17-7-5-6-8-18(17)14-21-12-11-20(4)16(3)13-21/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyISCWYENWKOCHKO-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 115464074) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID115464074
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCN(C)C(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-10-9-17-7-5-6-8-18(17)14-21-12-11-20(4)16(3)13-21/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyISCWYENWKOCHKO-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 115464074) is N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1CN1CCN(C)C(C)C1.
What is the InChIKey of N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is ISCWYENWKOCHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)19-10-9-17-7-5-6-8-18(17)14-21-12-11-20(4)16(3)13-21/h5-8,15-16,19H,9-14H2,1-4H3.
What are the key properties of N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).