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

C16H27N3O — CID 114540153

IUPACN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccoc2CNC2CC2)CC(C)N1C
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-14-6-7-20-16(14)8-17-15-4-5-15/h6-7,12-13,15,17H,4-5,8-11H2,1-3H3
InChIKeyCAQIJPSJGMQUEI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds5

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

N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 114540153) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID114540153
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccoc2CNC2CC2)CC(C)N1C
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-14-6-7-20-16(14)8-17-15-4-5-15/h6-7,12-13,15,17H,4-5,8-11H2,1-3H3
InChIKeyCAQIJPSJGMQUEI-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[[3-[(4,4-diethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63163443
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 63619960
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 114540153) is N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CC1CN(Cc2ccoc2CNC2CC2)CC(C)N1C.
What is the InChIKey of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is CAQIJPSJGMQUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-14-6-7-20-16(14)8-17-15-4-5-15/h6-7,12-13,15,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114540153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).