[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone

C15H28N2O — CID 81469957

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CC[C@@H](N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-12-5-7-13(8-6-12)15(18)17-10-9-14(16)11-17/h12-14H,2-11,16H2,1H3/t12?,13?,14-/m1/s1
InChIKeyGINHUMFEQFOGEV-JXQTWKCFSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone (PubChem CID 81469957) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
PubChem CID81469957
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CC[C@@H](N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-12-5-7-13(8-6-12)15(18)17-10-9-14(16)11-17/h12-14H,2-11,16H2,1H3/t12?,13?,14-/m1/s1
InChIKeyGINHUMFEQFOGEV-JXQTWKCFSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 90584874
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone (CID 81469957) is [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone is CCCCC1CCC(C(=O)N2CC[C@@H](N)C2)CC1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The InChIKey is GINHUMFEQFOGEV-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-4-12-5-7-13(8-6-12)15(18)17-10-9-14(16)11-17/h12-14H,2-11,16H2,1H3/t12?,13?,14-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone is sourced from PubChem (CID 81469957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).