4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one

C15H25N3O2 — CID 66432322

IUPAC4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1occc1CN(C)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H25N3O2/c1-12-13(5-8-20-12)11-17(2)14(10-16)9-15(19)18-6-3-4-7-18/h5,8,14H,3-4,6-7,9-11,16H2,1-2H3
InChIKeyQVRQKNBLZNTDPF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.36
Rot. Bonds6

About 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432322) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432322
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1occc1CN(C)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H25N3O2/c1-12-13(5-8-20-12)11-17(2)14(10-16)9-15(19)18-6-3-4-7-18/h5,8,14H,3-4,6-7,9-11,16H2,1-2H3
InChIKeyQVRQKNBLZNTDPF-UHFFFAOYSA-N
XLogP1.36
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
CID 66426470
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
CID 66432134
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66432546
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203
4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one (CID 66432322) is 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one is Cc1occc1CN(C)C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is QVRQKNBLZNTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-13(5-8-20-12)11-17(2)14(10-16)9-15(19)18-6-3-4-7-18/h5,8,14H,3-4,6-7,9-11,16H2,1-2H3.
What are the key properties of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 279.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).