4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

C15H29N3O2 — CID 66432936

IUPAC4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCN(CC1CCCOC1)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O2/c1-17(11-13-5-4-8-20-12-13)14(10-16)9-15(19)18-6-2-3-7-18/h13-14H,2-12,16H2,1H3
InChIKeyRCJKPUVIZKYXLB-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.68
Rot. Bonds6

About 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432936) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432936
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCN(CC1CCCOC1)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O2/c1-17(11-13-5-4-8-20-12-13)14(10-16)9-15(19)18-6-2-3-7-18/h13-14H,2-12,16H2,1H3
InChIKeyRCJKPUVIZKYXLB-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66430078
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (CID 66432936) is 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is CN(CC1CCCOC1)C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is RCJKPUVIZKYXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17(11-13-5-4-8-20-12-13)14(10-16)9-15(19)18-6-2-3-7-18/h13-14H,2-12,16H2,1H3.
What are the key properties of 4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.68, 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(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).