(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C17H32N2O — CID 63263642

IUPAC(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(CNC)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-5-14-6-8-16(9-7-14)17(20)19-11-10-15(13-19)12-18-2/h14-16,18H,3-13H2,1-2H3
InChIKeyBSGVWQGDSFZKCJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds6

About (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 63263642) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID63263642
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(CNC)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-5-14-6-8-16(9-7-14)17(20)19-11-10-15(13-19)12-18-2/h14-16,18H,3-13H2,1-2H3
InChIKeyBSGVWQGDSFZKCJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 63263642) is (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCC(CNC)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BSGVWQGDSFZKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-5-14-6-8-16(9-7-14)17(20)19-11-10-15(13-19)12-18-2/h14-16,18H,3-13H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63263642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).