N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine

C17H29N3O — CID 79311434

IUPACN-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCCC1CN(C)Cc1occc1CNC1CC1
InChIInChI=1S/C17H29N3O/c1-3-20-9-4-5-16(20)12-19(2)13-17-14(8-10-21-17)11-18-15-6-7-15/h8,10,15-16,18H,3-7,9,11-13H2,1-2H3
InChIKeyHBWUPTDBJBMBOO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds8

About N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 79311434) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID79311434
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCCC1CN(C)Cc1occc1CNC1CC1
InChIInChI=1S/C17H29N3O/c1-3-20-9-4-5-16(20)12-19(2)13-17-14(8-10-21-17)11-18-15-6-7-15/h8,10,15-16,18H,3-7,9,11-13H2,1-2H3
InChIKeyHBWUPTDBJBMBOO-UHFFFAOYSA-N
XLogP2.45
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411488
N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79313428
N-[[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 79313218
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine (CID 79311434) is N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine is CCN1CCCC1CN(C)Cc1occc1CNC1CC1.
What is the InChIKey of N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is HBWUPTDBJBMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20-9-4-5-16(20)12-19(2)13-17-14(8-10-21-17)11-18-15-6-7-15/h8,10,15-16,18H,3-7,9,11-13H2,1-2H3.
What are the key properties of N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79311434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).