(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 112625103

IUPAC(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c14-12-5-3-1-2-4-11(12)13(17)15-7-6-10(8-15)9-16/h10-12,16H,1-9,14H2
InChIKeyBVVLWXPSMTUPSN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds2

About (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 112625103) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID112625103
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c14-12-5-3-1-2-4-11(12)13(17)15-7-6-10(8-15)9-16/h10-12,16H,1-9,14H2
InChIKeyBVVLWXPSMTUPSN-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
(2-aminocyclopentyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64853017
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 112625103) is (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is NC1CCCCCC1C(=O)N1CCC(CO)C1.
What is the InChIKey of (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BVVLWXPSMTUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12-5-3-1-2-4-11(12)13(17)15-7-6-10(8-15)9-16/h10-12,16H,1-9,14H2.
What are the key properties of (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112625103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).