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

C17H27N3O — CID 62412420

IUPACN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H27N3O/c1-13-14(10-17(21-13)11-18-15-2-3-15)12-19-6-8-20(9-7-19)16-4-5-16/h10,15-16,18H,2-9,11-12H2,1H3
InChIKeyOUIFOFBCECTWRW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.12
Rot. Bonds6

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

N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62412420) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62412420
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H27N3O/c1-13-14(10-17(21-13)11-18-15-2-3-15)12-19-6-8-20(9-7-19)16-4-5-16/h10,15-16,18H,2-9,11-12H2,1H3
InChIKeyOUIFOFBCECTWRW-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

Analyze N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 63163389
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62436871
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-methyl-4-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55073034
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 62412420) is N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1CN1CCN(C2CC2)CC1.
What is the InChIKey of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is OUIFOFBCECTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-14(10-17(21-13)11-18-15-2-3-15)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-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-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-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62412420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).