N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

C14H23N3O — CID 62440129

IUPACN-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN1CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C14H23N3O/c1-16-6-8-17(9-7-16)11-14-5-4-13(18-14)10-15-12-2-3-12/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyPHIIVNZXMCQDSF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds5

About N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62440129) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62440129
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN1CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C14H23N3O/c1-16-6-8-17(9-7-16)11-14-5-4-13(18-14)10-15-12-2-3-12/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyPHIIVNZXMCQDSF-UHFFFAOYSA-N
XLogP1.28
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074092
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
CID 115710716
N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 84746066

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62440129) is N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CN1CCN(Cc2ccc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PHIIVNZXMCQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-6-8-17(9-7-16)11-14-5-4-13(18-14)10-15-12-2-3-12/h4-5,12,15H,2-3,6-11H2,1H3.
What are the key properties of N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).