N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine

C17H27N3O — CID 62411236

IUPACN-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCN(CC3CC3)CC2)c(CNC2CC2)o1
InChIInChI=1S/C17H27N3O/c1-2-14(1)12-19-6-8-20(9-7-19)13-15-5-10-21-17(15)11-18-16-3-4-16/h5,10,14,16,18H,1-4,6-9,11-13H2
InChIKeyMWMFBIQELVPRFF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.06
Rot. Bonds7

About N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62411236) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62411236
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCN(CC3CC3)CC2)c(CNC2CC2)o1
InChIInChI=1S/C17H27N3O/c1-2-14(1)12-19-6-8-20(9-7-19)13-15-5-10-21-17(15)11-18-16-3-4-16/h5,10,14,16,18H,1-4,6-9,11-13H2
InChIKeyMWMFBIQELVPRFF-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-[(4,4-diethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63163443
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
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 63619960

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62411236) is N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine is c1cc(CN2CCN(CC3CC3)CC2)c(CNC2CC2)o1.
What is the InChIKey of N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is MWMFBIQELVPRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-14(1)12-19-6-8-20(9-7-19)13-15-5-10-21-17(15)11-18-16-3-4-16/h5,10,14,16,18H,1-4,6-9,11-13H2.
What are the key properties of N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 289.42 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-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62411236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).