(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone

C17H32N2O — CID 83072313

IUPAC(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)N2CCCC(C(C)(C)C)CC2)CCCN1
InChIInChI=1S/C17H32N2O/c1-5-17(10-7-11-18-17)15(20)19-12-6-8-14(9-13-19)16(2,3)4/h14,18H,5-13H2,1-4H3
InChIKeyMFSNLDLDLMBBCF-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds2

About (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone

(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 83072313) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID83072313
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)N2CCCC(C(C)(C)C)CC2)CCCN1
InChIInChI=1S/C17H32N2O/c1-5-17(10-7-11-18-17)15(20)19-12-6-8-14(9-13-19)16(2,3)4/h14,18H,5-13H2,1-4H3
InChIKeyMFSNLDLDLMBBCF-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 83071372
N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 83071816
2-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 83072476
(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625313
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712
(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975291
(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 106974507
(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63141988
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 83072313) is (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1(C(=O)N2CCCC(C(C)(C)C)CC2)CCCN1.
What is the InChIKey of (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is MFSNLDLDLMBBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-17(10-7-11-18-17)15(20)19-12-6-8-14(9-13-19)16(2,3)4/h14,18H,5-13H2,1-4H3.
What are the key properties of (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 83072313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).