2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide

C16H27N3O2 — CID 78915193

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC1(N(C)C)CCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C16H27N3O2/c1-13(15(20)17-11-14-7-6-10-21-14)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3,(H,17,20)
InChIKeyTWCWLVREFZKXAA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.75
Rot. Bonds7

About 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide

2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 78915193) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID78915193
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC1(N(C)C)CCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C16H27N3O2/c1-13(15(20)17-11-14-7-6-10-21-14)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3,(H,17,20)
InChIKeyTWCWLVREFZKXAA-UHFFFAOYSA-N
XLogP1.75
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103966369
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 81039089
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide (CID 78915193) is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide is CC(NCC1(N(C)C)CCCC1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is TWCWLVREFZKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(15(20)17-11-14-7-6-10-21-14)18-12-16(19(2)3)8-4-5-9-16/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3,(H,17,20).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 78915193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).