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

C16H27N3O — CID 114540016

IUPACN-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2occc2CNC2CC2)CC(C)N1C
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16-14(6-7-20-16)8-17-15-4-5-15/h6-7,12-13,15,17H,4-5,8-11H2,1-3H3
InChIKeyPTLJYQSNLZYUPC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds5

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

N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 114540016) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID114540016
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2occc2CNC2CC2)CC(C)N1C
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16-14(6-7-20-16)8-17-15-4-5-15/h6-7,12-13,15,17H,4-5,8-11H2,1-3H3
InChIKeyPTLJYQSNLZYUPC-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-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
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
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102745973
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
CID 79915678
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62441010

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 114540016) is N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is CC1CN(Cc2occc2CNC2CC2)CC(C)N1C.
What is the InChIKey of N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is PTLJYQSNLZYUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16-14(6-7-20-16)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-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-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-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114540016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).