N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine

C17H31N3O — CID 83978838

IUPACN-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC(c1ccco1)N1CCNC(C)C1
InChIInChI=1S/C17H31N3O/c1-4-9-19(10-5-2)14-16(17-7-6-12-21-17)20-11-8-18-15(3)13-20/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3
InChIKeyPPDDCZISRLUFBB-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine

N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 83978838) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
PubChem CID83978838
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC(c1ccco1)N1CCNC(C)C1
InChIInChI=1S/C17H31N3O/c1-4-9-19(10-5-2)14-16(17-7-6-12-21-17)20-11-8-18-15(3)13-20/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3
InChIKeyPPDDCZISRLUFBB-UHFFFAOYSA-N
XLogP2.74
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 83980043
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
CID 83978834
(4aS,7aS)-6-[1-(furan-2-yl)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678989
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine (CID 83978838) is N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CC(c1ccco1)N1CCNC(C)C1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is PPDDCZISRLUFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-9-19(10-5-2)14-16(17-7-6-12-21-17)20-11-8-18-15(3)13-20/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3.
What are the key properties of N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 83978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).