N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C17H27N3O — CID 62413294

IUPACN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN2CCN(C3CC3)CC2)cc1CNC1CC1
InChIInChI=1S/C17H27N3O/c1-13-14(11-18-15-2-3-15)10-17(21-13)12-19-6-8-20(9-7-19)16-4-5-16/h10,15-16,18H,2-9,11-12H2,1H3
InChIKeyYJYAORXDIZZOMT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.12
Rot. Bonds6

About N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62413294) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62413294
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN2CCN(C3CC3)CC2)cc1CNC1CC1
InChIInChI=1S/C17H27N3O/c1-13-14(11-18-15-2-3-15)10-17(21-13)12-19-6-8-20(9-7-19)16-4-5-16/h10,15-16,18H,2-9,11-12H2,1H3
InChIKeyYJYAORXDIZZOMT-UHFFFAOYSA-N
XLogP2.12
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62413294) is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(CN2CCN(C3CC3)CC2)cc1CNC1CC1.
What is the InChIKey of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is YJYAORXDIZZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-14(11-18-15-2-3-15)10-17(21-13)12-19-6-8-20(9-7-19)16-4-5-16/h10,15-16,18H,2-9,11-12H2,1H3.
What are the key properties of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62413294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).