N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C17H31N3O — CID 63621667

IUPACN-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2cc(C)c(CNC(C)C)o2)CC1C
InChIInChI=1S/C17H31N3O/c1-6-20-8-7-19(11-15(20)5)12-16-9-14(4)17(21-16)10-18-13(2)3/h9,13,15,18H,6-8,10-12H2,1-5H3
InChIKeyGYCKSZFQYVWXBJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.61
Rot. Bonds6

About N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 63621667) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID63621667
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2cc(C)c(CNC(C)C)o2)CC1C
InChIInChI=1S/C17H31N3O/c1-6-20-8-7-19(11-15(20)5)12-16-9-14(4)17(21-16)10-18-13(2)3/h9,13,15,18H,6-8,10-12H2,1-5H3
InChIKeyGYCKSZFQYVWXBJ-UHFFFAOYSA-N
XLogP2.61
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 55217384
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 79934395
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63620144
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 102967918

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 63621667) is N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is CCN1CCN(Cc2cc(C)c(CNC(C)C)o2)CC1C.
What is the InChIKey of N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is GYCKSZFQYVWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-20-8-7-19(11-15(20)5)12-16-9-14(4)17(21-16)10-18-13(2)3/h9,13,15,18H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63621667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).