N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C17H31N3O — CID 114540088

IUPACN-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(CN2CC(C)N(C)C(C)C2)cc1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-8-16-7-17(21-15(16)5)11-20-9-13(3)19(6)14(4)10-20/h7,12-14,18H,8-11H2,1-6H3
InChIKeyBBNRWQSFENTDIA-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.61
Rot. Bonds5

About N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 114540088) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID114540088
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(CN2CC(C)N(C)C(C)C2)cc1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-8-16-7-17(21-15(16)5)11-20-9-13(3)19(6)14(4)10-20/h7,12-14,18H,8-11H2,1-6H3
InChIKeyBBNRWQSFENTDIA-UHFFFAOYSA-N
XLogP2.61
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
CID 81464162
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 114540107
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62435989
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 114540088) is N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is Cc1oc(CN2CC(C)N(C)C(C)C2)cc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is BBNRWQSFENTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)18-8-16-7-17(21-15(16)5)11-20-9-13(3)19(6)14(4)10-20/h7,12-14,18H,8-11H2,1-6H3.
What are the key properties of N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114540088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).