N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine

C16H27N3O — CID 79313428

IUPACN-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccoc1CNC1CC1)CC1CCCN1C
InChIInChI=1S/C16H27N3O/c1-18(12-15-4-3-8-19(15)2)11-13-7-9-20-16(13)10-17-14-5-6-14/h7,9,14-15,17H,3-6,8,10-12H2,1-2H3
InChIKeyPJCAYERCVJNCEY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds7

About N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 79313428) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID79313428
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccoc1CNC1CC1)CC1CCCN1C
InChIInChI=1S/C16H27N3O/c1-18(12-15-4-3-8-19(15)2)11-13-7-9-20-16(13)10-17-14-5-6-14/h7,9,14-15,17H,3-6,8,10-12H2,1-2H3
InChIKeyPJCAYERCVJNCEY-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-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 79313218
N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79311434
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
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-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62463416
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663
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-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 79313428) is N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine is CN(Cc1ccoc1CNC1CC1)CC1CCCN1C.
What is the InChIKey of N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PJCAYERCVJNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(12-15-4-3-8-19(15)2)11-13-7-9-20-16(13)10-17-14-5-6-14/h7,9,14-15,17H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-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-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79313428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).