N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

C16H27N3O — CID 62423623

IUPACN-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCCN1CCN(Cc2cc(CNC3CC3)co2)CC1
InChIInChI=1S/C16H27N3O/c1-2-5-18-6-8-19(9-7-18)12-16-10-14(13-20-16)11-17-15-3-4-15/h10,13,15,17H,2-9,11-12H2,1H3
InChIKeyHSOHEUHJMLDPDO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds7

About N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62423623) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62423623
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCCN1CCN(Cc2cc(CNC3CC3)co2)CC1
InChIInChI=1S/C16H27N3O/c1-2-5-18-6-8-19(9-7-18)12-16-10-14(13-20-16)11-17-15-3-4-15/h10,13,15,17H,2-9,11-12H2,1H3
InChIKeyHSOHEUHJMLDPDO-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102746010
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62432226
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107395572
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62423623) is N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is CCCN1CCN(Cc2cc(CNC3CC3)co2)CC1.
What is the InChIKey of N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is HSOHEUHJMLDPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-5-18-6-8-19(9-7-18)12-16-10-14(13-20-16)11-17-15-3-4-15/h10,13,15,17H,2-9,11-12H2,1H3.
What are the key properties of N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62423623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).