(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone

C16H30N2O — CID 106975291

IUPAC(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CCCC(CC)CC2)CCCN1
InChIInChI=1S/C16H30N2O/c1-3-9-16(10-6-11-17-16)15(19)18-12-5-7-14(4-2)8-13-18/h14,17H,3-13H2,1-2H3
InChIKeyNKIBSFBZHRRCNU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds4

About (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone

(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106975291) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106975291
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CCCC(CC)CC2)CCCN1
InChIInChI=1S/C16H30N2O/c1-3-9-16(10-6-11-17-16)15(19)18-12-5-7-14(4-2)8-13-18/h14,17H,3-13H2,1-2H3
InChIKeyNKIBSFBZHRRCNU-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
[3-(dimethylamino)piperidin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
CID 106975402
[4-(2-hydroxyethoxy)piperidin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
CID 106975662
(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 106974507
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106975639
3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 83071372
(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072313
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
CID 106975624
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422

Frequently Asked Questions

What is the IUPAC name of (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone (CID 106975291) is (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)N2CCCC(CC)CC2)CCCN1.
What is the InChIKey of (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is NKIBSFBZHRRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-9-16(10-6-11-17-16)15(19)18-12-5-7-14(4-2)8-13-18/h14,17H,3-13H2,1-2H3.
What are the key properties of (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106975291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).