N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

C16H27N3O — CID 63619960

IUPACN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCN(Cc2occc2CNC2CC2)CC1C
InChIInChI=1S/C16H27N3O/c1-3-19-8-7-18(11-13(19)2)12-16-14(6-9-20-16)10-17-15-4-5-15/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyNQKISEGMNSYUOG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds6

About N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 63619960) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID63619960
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCN(Cc2occc2CNC2CC2)CC1C
InChIInChI=1S/C16H27N3O/c1-3-19-8-7-18(11-13(19)2)12-16-14(6-9-20-16)10-17-15-4-5-15/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyNQKISEGMNSYUOG-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 63620967
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
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-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102745973
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 63619960) is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is CCN1CCN(Cc2occc2CNC2CC2)CC1C.
What is the InChIKey of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is NQKISEGMNSYUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-19-8-7-18(11-13(19)2)12-16-14(6-9-20-16)10-17-15-4-5-15/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63619960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).