N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C17H31N3O — CID 63620461

IUPACN-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN1CCN(C)C(C)C1
InChIInChI=1S/C17H31N3O/c1-13(2)9-18-10-17-8-16(15(4)21-17)12-20-7-6-19(5)14(3)11-20/h8,13-14,18H,6-7,9-12H2,1-5H3
InChIKeyIHVLMSJXZMSROE-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.47
Rot. Bonds6

About N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63620461) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63620461
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN1CCN(C)C(C)C1
InChIInChI=1S/C17H31N3O/c1-13(2)9-18-10-17-8-16(15(4)21-17)12-20-7-6-19(5)14(3)11-20/h8,13-14,18H,6-7,9-12H2,1-5H3
InChIKeyIHVLMSJXZMSROE-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62431997
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63619611
1-[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55215650
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62417857
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 64582400
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
2-methyl-N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62447754

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 63620461) is N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is Cc1oc(CNCC(C)C)cc1CN1CCN(C)C(C)C1.
What is the InChIKey of N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IHVLMSJXZMSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)9-18-10-17-8-16(15(4)21-17)12-20-7-6-19(5)14(3)11-20/h8,13-14,18H,6-7,9-12H2,1-5H3.
What are the key properties of N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).