3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide

C14H22N2O2 — CID 81087169

IUPAC3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O2/c1-2-11(9-15)8-14(17)16(12-5-6-12)10-13-4-3-7-18-13/h3-4,7,11-12H,2,5-6,8-10,15H2,1H3
InChIKeyYXWFURSBYBWTQV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.15
Rot. Bonds7

About 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide

3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide (PubChem CID 81087169) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
PubChem CID81087169
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O2/c1-2-11(9-15)8-14(17)16(12-5-6-12)10-13-4-3-7-18-13/h3-4,7,11-12H,2,5-6,8-10,15H2,1H3
InChIKeyYXWFURSBYBWTQV-UHFFFAOYSA-N
XLogP2.15
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
CID 81070792
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide (CID 81087169) is 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide is CCC(CN)CC(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is YXWFURSBYBWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-11(9-15)8-14(17)16(12-5-6-12)10-13-4-3-7-18-13/h3-4,7,11-12H,2,5-6,8-10,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide?
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 81087169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).